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2585-18-4 | 4,7-dimethylcarbostyril
CAS No: 2585-18-4 Catalog No: AG00BJ7F MDL No:MFCD00085876
Product Description
Catalog Number:
AG00BJ7F
Chemical Name:
4,7-dimethylcarbostyril
CAS Number:
2585-18-4
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD00085876
IUPAC Name:
4,7-dimethyl-1H-quinolin-2-one
InChI:
InChI=1S/C11H11NO/c1-7-3-4-9-8(2)6-11(13)12-10(9)5-7/h3-6H,1-2H3,(H,12,13)
InChI Key:
WFVZLFFKZBDDCM-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)[nH]c(=O)cc2C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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