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40925-60-8 | 2(3H)-Benzoxazolone, 7-methyl-
CAS No: 40925-60-8 Catalog No: AG0073XY MDL No:MFCD11845138
Product Description
Catalog Number:
AG0073XY
Chemical Name:
2(3H)-Benzoxazolone, 7-methyl-
CAS Number:
40925-60-8
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD11845138
IUPAC Name:
7-methyl-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C8H7NO2/c1-5-3-2-4-6-7(5)11-8(10)9-6/h2-4H,1H3,(H,9,10)
InChI Key:
YTLYBSLIQYPIKP-UHFFFAOYSA-N
SMILES:
O=c1oc2c([nH]1)cccc2C
Properties
Complexity:
181
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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