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39835-05-7 | 6-METHOXY-1,2-BENZISOXAZOLE
CAS No: 39835-05-7 Catalog No: AG00C69M MDL No:MFCD06659636
Product Description
Catalog Number:
AG00C69M
Chemical Name:
6-METHOXY-1,2-BENZISOXAZOLE
CAS Number:
39835-05-7
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD06659636
IUPAC Name:
6-methoxy-1,2-benzoxazole
InChI:
InChI=1S/C8H7NO2/c1-10-7-3-2-6-5-9-11-8(6)4-7/h2-5H,1H3
InChI Key:
POTFXHBOYWNKII-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)onc2
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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