Basic information
- CAS
37730-33-9- Standard SMILES
COc1cccc(C(C)CC(=O)O)c1- InChIKey
XDMVUTYPFLYVOH-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 3-(3-Methoxyphenyl)butanoic acid
- IUPAC
- 3-(3-methoxyphenyl)butanoic acid
- English name
- 3-(3-Methoxy-phenyl)-butyric acid
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
3-(3-methoxyphenyl)butanoic acid37730-33-9MFCD098176623-(3-METHOXY-PHENYL)-BUTYRIC ACIDNSC31594Benzenepropanoic acid, 3-methoxy-beta-methyl-SCHEMBL12069823-(3-methoxyphenyl)butanoicacidDTXSID30283445MBA73033NSC 31594NSC-31594
Show more names
Benzenepropanoic acid, 3-methoxy-β-methyl-
AKOS009219331(R)-3-(3-Methoxyphenyl)butanoic Acid(S)-3-(3-Methoxyphenyl)butanoic AcidNS-01890SY142762SY385853SY385855DB-293569
Database identifiers
- CAS
37730-33-9- PubChem CID
- 233237
- DTXSID
DTXSID30283445- Nikkaji
- J3.696.744G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 200 · 200-205 °C(Press: 20 Torr)
- Density
- 1.112 · 1.112±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.68 · 4.68±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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