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Structure

2,1-Benzisoxazole-3-carboxylic acid

CAS
642-91-1
Catalog Number
ACM642911
Category
Other Products
Molecular Weight
163.13
Molecular Formula
C8H5NO3

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Specification

Synonyms
2,1-BENZISOXAZOLE-3-CARBOXYLIC ACID;AKOS BC-0831;2,1-Benzisoxazole-3-carboxylicacid(7CI,8CI,9CI);Anthroxanic acid
IUPAC Name
2,1-benzoxazole-3-carboxylic acid
Canonical SMILES
C1=CC2=C(ON=C2C=C1)C(=O)O
InChI Key
PHYDLUSJJFZNFG-UHFFFAOYSA-N
Boiling Point
387.3ºC at 760 mmHg
Melting Point
185ºC
Flash Point
188ºC
Density
1.455g/cm³
Exact Mass
163.02700
Hazard Statements
Xi
H-Bond Acceptor
4
H-Bond Donor
1
Safety Description
26-36/37/39
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