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181144-26-3 | 1,2-Benzisoxazole-3-methanol
CAS No: 181144-26-3 Catalog No: AG0022PM MDL No:
Product Description
Catalog Number:
AG0022PM
Chemical Name:
1,2-Benzisoxazole-3-methanol
CAS Number:
181144-26-3
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
IUPAC Name:
1,2-benzoxazol-3-ylmethanol
InChI:
InChI=1S/C8H7NO2/c10-5-7-6-3-1-2-4-8(6)11-9-7/h1-4,10H,5H2
InChI Key:
NZBMDFKAIJJQJR-UHFFFAOYSA-N
SMILES:
OCc1noc2c1cccc2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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