1,2-Benzisoxazole-3-acetic acid
Properties
- Molecular formula
- C9H7NO3
- Molar mass
- 177.16 g/mol
- Exact mass
- 177.0426 Da
- Melting point
- 120–125 °C
- logP
- 1.45Crippen estimate
- Polar surface area
- 63.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Identifiers
CAS number
4865-84-3SMILES
O=C(O)Cc1noc2ccccc12InChIKey
BVSIAYQIMUUCRW-UHFFFAOYSA-NInChI
InChI=1S/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 1,2-Benzisoxazol-3-ylacetic acid
- NSC 179803
- (Benzo[d]isoxazol-3-yl)acetic acid
- 2-(Benzisoxazol-3-yl)acetic acid
- Benzisoxazol-3-ylacetic acid
- 2-(Benzo[d]isoxazol-3-yl)acetic acid
- (1,2-Benzoxazol-3-yl)acetic acid
- 2-(1,2-Benzoxazol-3-yl)acetic acid
- 2-(1,2-Benzisoxazol-3-yl)acetic acid
Work with 1,2-Benzisoxazole-3-acetic acid
Similar compounds
3-Bromomethylbenzisoxazole37924-85-953 % similar
Zonisamide68291-97-451 % similar
1,2-Benzenediacetic acid7500-53-046 % similar
α-Bromo-1,2-benzisoxazole-3-acetic acid37924-67-745 % similar
1-Naphthaleneacetic acid86-87-345 % similar
Phenylacetic acid103-82-244 % similar
Sodium 1,2-benzisoxazole-3-methanesulfonate73101-64-144 % similar
2-Phenyl-5-methyloxazole-4-acetic acid107367-98-643 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds