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77186-95-9 | Benzo[d]oxazol-2-ylmethanol
CAS No: 77186-95-9 Catalog No: AG005P53 MDL No:MFCD07368333
Product Description
Catalog Number:
AG005P53
Chemical Name:
Benzo[d]oxazol-2-ylmethanol
CAS Number:
77186-95-9
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD07368333
IUPAC Name:
1,3-benzoxazol-2-ylmethanol
InChI:
InChI=1S/C8H7NO2/c10-5-8-9-6-3-1-2-4-7(6)11-8/h1-4,10H,5H2
InChI Key:
MFAYHDNWECITJF-UHFFFAOYSA-N
SMILES:
OCc1nc2c(o1)cccc2
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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