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136663-36-0 | 4-Benzoxazolemethanol, 2-methyl-
CAS No: 136663-36-0 Catalog No: AG00126C MDL No:MFCD26743640
Product Description
Catalog Number:
AG00126C
Chemical Name:
4-Benzoxazolemethanol, 2-methyl-
CAS Number:
136663-36-0
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD26743640
IUPAC Name:
(2-methyl-1,3-benzoxazol-4-yl)methanol
InChI:
InChI=1S/C9H9NO2/c1-6-10-9-7(5-11)3-2-4-8(9)12-6/h2-4,11H,5H2,1H3
InChI Key:
NSZZFALBCZPFPI-UHFFFAOYSA-N
SMILES:
OCc1cccc2c1nc(o2)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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