3-(2-Methoxy-5-methylphenyl)propanoic acid

HCID 585488
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Basic information

CAS
61371-44-6
Standard SMILES
COc1ccc(C)cc1CCC(=O)O
InChIKey
KLVRTUOZJWPLSU-UHFFFAOYSA-N
Molecular formula
C11H14O3
Average molar mass
194.23 g/mol

Names & identifiers

Preferred name
3-(2-Methoxy-5-methylphenyl)propanoic acid
IUPAC
3-(2-methoxy-5-methylphenyl)propanoic acid

Names & synonyms

3-(2-Methoxy-5-methylphenyl)propanoic acid61371-44-6CBMicro_0226512-methoxy-5-methyl-Benzenepropanoic acidSCHEMBL1209727SCHEMBL30873972MFCD06823838AKOS0114409593-(2-Methoxy-5-methylphenyl)propanoicacidDB-3240213-(2-Methoxy-5-methylphenyl)propionic acidCS-0345895
Show more names
3-(2-methoxy-5-methyl-phenyl)propanoic acid3-(2-methoxy-5-methylphenyl)-propionic acid3-(2-methoxy-5-methyl-phenyl)-propionic acid3-(2-Methoxy-5-methylphenyl)propanoic acid #EN300-222971Propanoic acid, 3-(2-methoxy-5-methylphenyl)-A1-21856

Database identifiers

CAS
61371-44-6
PubChem CID
585488
EC Number
117-265-4

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

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

3 records
New reaction record

Compound notes

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