Basic information
- CAS
5631-68-5- Standard SMILES
O=C(O)CCc1ccc(O)cc1O- InChIKey
HMCMTJPPXSGYJY-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Overview
3-(2,4-dihydroxyphenyl)propanoic acid is a member of benzenes and a monocarboxylic acid.
Names & identifiers
- Preferred name
- 2,4-Dihydroxybenzenepropanoic acid
- IUPAC
- 3-(2,4-dihydroxyphenyl)propanoic acid
- English name
- 3-(2,4-Dihydroxyphenyl)propionic acid
- Molecular formula
- C9H10O4
- Molecular weight
- 182.17
Names & synonyms
5631-68-52,4-Dihydroxybenzenepropanoic acidBenzenepropanoic acid, 2,4-dihydroxy-DTXSID50204854RefChem:1059750DTXCID801273453-(2,4-dihydroxyphenyl)propanoic acid3-(2,4-Dihydroxyphenyl)propionic acidHydroumbellic acidMFCD001430173-(2,4-Dihydroxyphenyl)PropionicacidCHEMBL228155
Show more names
3-(2,4-Dihydroxyphenyl)propanoicaci3-(2,4-Dihydroxyphenyl)propanoic acid (DPPacid)3-(2,4-Dihydroxyphenyl)propanoic acid, 10 mM in DMSOHydroumbellic acid|||2,4-Dihydroxyhydrocinnamic acid3-(2,4-Dihydroxyphenyl)propionic acid >=95.0% (HPLC)
F3228-01872,4-Dihydroxyhydrocinnamic acidAI3-130722,4-DihydroxyhydrocinnamicNCIOpen2_000618SCHEMBL490491orb1222035orb1303822
Database identifiers
- CAS
5631-68-5- PubChem CID
- 96384
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 158 · 158-162 °C
- Boiling point
- 418 · 418.0±14.0 °C(Predicted)
- Density
- 1.398 · 1.398±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Solid
- pka
- 4.84 · 4.84±0.10(Predicted)
- color
- Brown to orange
- BRN
- 2694769 · 2694769
- InChI
- 1S/C9H10O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
- InChIKey
- HMCMTJPPXSGYJY-UHFFFAOYSA-N
- SMILES
- OC(=O)CCc1ccc(O)cc1O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 330 · H330-H311-H302-H315-H319
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H330-H311-H302-H315-H319
- Precautionary statements
- P501-P260-P270-P271-P264-P280-P284-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P310-P403+P233-P405
Chemistry & industry
Applications
Uses3-(2,4-Dihydroxyphenyl)propionic acid (DHPPA) may be used as substrate for the o-diphenolase in microplate assays of serum and hemocyte supernatants from QXR3 and wild type oysters for the quantitation of o-diphenolase activity.
General Description3-(2,4-Dihydroxyphenyl)propionic acid is a 3,4-dihydroxyphenylalanine (DOPA) analog. It is a building block for heterocyclic compounds.
Suppliers73 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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