7-Amino-4-methylcoumarin-3-acetic acid
Properties
- Molecular formula
- C12H11NO4
- Molar mass
- 233.22 g/mol
- Exact mass
- 233.0688 Da
- logP
- 1.31Crippen estimate
- Polar surface area
- 93.5 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
106562-32-7SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)N)CC(=O)OInChIKey
QEQDLKUMPUDNPG-UHFFFAOYSA-NInChI
InChI=1S/C12H11NO4/c1-6-8-3-2-7(13)4-10(8)17-12(16)9(6)5-11(14)15/h2-4H,5,13H2,1H3,(H,14,15)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 7-Amino-4-methyl-3-coumarinylacetic acid
Work with 7-Amino-4-methylcoumarin-3-acetic acid
Similar compounds
7-Hydroxy-4-methyl-3-coumarinylacetic acid5852-10-873 % similar
7-Amino-4-methylcoumarin26093-31-241 % similar
4-Aminophenylacetic acid1197-55-340 % similar
(3-Aminophenyl)acetic acid14338-36-440 % similar
7-Hydroxycoumarin-4-acetic acid6950-82-939 % similar
7-Methoxycoumarin-4-acetic acid62935-72-238 % similar
Chlorferon6174-86-338 % similar
5,6-Dimethylxanthenone-4-acetic acid117570-53-337 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.