Basic information
- CAS
1149387-98-3- Standard SMILES
NC(=O)c1cccc(CC(=O)O)c1- InChIKey
NLFWSRHYLZXQQK-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
Names & identifiers
- Preferred name
- 2-(3-Carbamoylphenyl)acetic acid
- IUPAC
- 2-(3-carbamoylphenyl)acetic acid
Names & synonyms
2-(3-carbamoylphenyl)acetic acid1149387-98-3RefChem:455311832-811-82-[3-(aminocarbonyl)phenyl]acetic acidSCHEMBL24266022-(3-carbamoylphenyl)aceticacidNLFWSRHYLZXQQK-UHFFFAOYSA-NZVB38798AKOS034120214DB-346615EN300-1179673
Show more names
Z1262559652
Database identifiers
- CAS
1149387-98-3- PubChem CID
- 57748706
- EC Number
- 832-811-8
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Safety & regulation
GHS classification
GHS Classification
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
2 records
Compound notes
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