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88057-16-3 | 2,1-Benzisoxazol-3(1H)-one, 1-(hydroxymethyl)-
CAS No: 88057-16-3 Catalog No: AG004LCO MDL No:
Product Description
Catalog Number:
AG004LCO
Chemical Name:
2,1-Benzisoxazol-3(1H)-one, 1-(hydroxymethyl)-
CAS Number:
88057-16-3
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
IUPAC Name:
1-(hydroxymethyl)-2,1-benzoxazol-3-one
InChI:
InChI=1S/C8H7NO3/c10-5-9-7-4-2-1-3-6(7)8(11)12-9/h1-4,10H,5H2
InChI Key:
NEGOVXNQUYYJMS-UHFFFAOYSA-N
SMILES:
OCn1oc(=O)c2c1cccc2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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