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Home > Other Building Blocks > 102065-94-1
102065-94-1 | 2H-1,4-Benzoxazin-3(4H)-one, 8-methyl-
CAS No: 102065-94-1 Catalog No: AG0006HH MDL No:MFCD09835009
Product Description
Catalog Number:
AG0006HH
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 8-methyl-
CAS Number:
102065-94-1
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD09835009
IUPAC Name:
8-methyl-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C9H9NO2/c1-6-3-2-4-7-9(6)12-5-8(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChI Key:
SXJYJSYBBLSIPL-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1OCC(=O)N2
Properties
Complexity:
193
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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