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1784571-88-5 | 4-Benzoxazolemethanol
CAS No: 1784571-88-5 Catalog No: AG00261U MDL No:
Product Description
Catalog Number:
AG00261U
Chemical Name:
4-Benzoxazolemethanol
CAS Number:
1784571-88-5
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
IUPAC Name:
1,3-benzoxazol-4-ylmethanol
InChI:
InChI=1S/C8H7NO2/c10-4-6-2-1-3-7-8(6)9-5-11-7/h1-3,5,10H,4H2
InChI Key:
XTUHLQDOJVDJPP-UHFFFAOYSA-N
SMILES:
OCc1cccc2c1nco2
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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