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132227-03-3 | BENZOXAZOLE, 5-METHOXY-
CAS No: 132227-03-3 Catalog No: AG0010F0 MDL No:MFCD11111707
Product Description
Catalog Number:
AG0010F0
Chemical Name:
BENZOXAZOLE, 5-METHOXY-
CAS Number:
132227-03-3
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD11111707
IUPAC Name:
5-methoxy-1,3-benzoxazole
InChI:
InChI=1S/C8H7NO2/c1-10-6-2-3-8-7(4-6)9-5-11-8/h2-5H,1H3
InChI Key:
IQQKXTVYGHYXFX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nco2
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:
0
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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