Basic information
- CAS
46118-02-9- Standard SMILES
OCCCc1ccc(O)c(O)c1- InChIKey
DPTPQXXDBLPEOP-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 1,2-Benzenediol, 4-(3-hydroxypropyl)-
- IUPAC
- 4-(3-hydroxypropyl)benzene-1,2-diol
- English name
- 4-(3-Hydroxy-propyl)-benzene-1,2-diol
- Molecular formula
- C9H12O3
- Molecular weight
- 168.19
Names & synonyms
46118-02-91,2-Benzenediol, 4-(3-hydroxypropyl)-DTXSID10459000RefChem:1052153DTXCID20409819Phenylpropanol impurities3-(3,4-dihydroxyphenyl)-1-propanolMLS000876967MEGxp0_000680SCHEMBL1234932SCHEMBL25420457ACon1_001954
Show more names
Phenylpropanol impurities14-(3-Hydroxy-propyl)-benzene-1,2-diol
DPTPQXXDBLPEOP-UHFFFAOYSA-NHMS2269N17BDBM50448446MFCD09028769AKOS006288840NCGC00179968-01SMR000440647G90811
Database identifiers
- CAS
46118-02-9- PubChem CID
- 11217464
- DTXSID
DTXSID10459000- Nikkaji
- J276.048G
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 127
Chemistry & industry
Suppliers11 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
Guangzhou Tosun Pharmaceutical Limited+86-18124244216 +86-18124244216 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Guangzhou Tosun Pharmaceutical Ltd+86-020-61855200-902 +86-18124244216 · [email protected]
上海药领医药科技合伙企业（有限合伙）400-6181121 18616383988 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Related reactions
5 records
Compound notes
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