CAS 38087-96-6 2-(3-methoxyphenyl)benzoic Acid (HCID 2759549)

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Basic information

CAS: 38087-96-6
Standard SMILES: COc1cccc(-c2ccccc2C(=O)O)c1
InChIKey: RTAAHOXEHROLKE-UHFFFAOYSA-N
Molecular formula: C14H12O3
Average molar mass: 228.24 g/mol
Monoisotopic mass: 228.07864424

Names & identifiers

Preferred name: 2-(3-methoxyphenyl)benzoic Acid
IUPAC: 2-(3-methoxyphenyl)benzoic acid
English name: 2-BIPHENYL-(3'-METHOXY)CARBOXYLIC ACID
Molecular formula: C14H12O3
Molecular weight: 228.24

Names & synonyms

38087-96-62-(3-methoxyphenyl)benzoic AcidDTXSID40374833RefChem:251620DTXCID203258633'-Methoxy-[1,1'-biphenyl]-2-carboxylic acid3'-Methoxybiphenyl-2-carboxylic acidMFCD034264653'-Methoxy-[1,1'-biphenyl]-2-carboxylicacid[1,1'-Biphenyl]-2-carboxylicacid, 3'-methoxy-3'-Methoxy-biphenyl-2-carboxylic acid2-Biphenyl-(3'-methoxy)carboxylic acid

Show more names

AKOS BAR-0250TIMTEC-BB SBB007490

3'-methoxy[1,1'-biphenyl]-2-carboxylic acidSCHEMBL496484RTAAHOXEHROLKE-UHFFFAOYSA-N2-(3'-methoxyphenyl)benzoic acidNBA08796SBB007490AKOS004117320AC-6469

Database identifiers

CAS: 38087-96-6
PubChem CID: 2759549
DTXSID: DTXSID40374833
EC Number: 672-461-1
Nikkaji: J3.185.168H

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 264

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.