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36053-96-0 | 7-METHYL-2,3-DIHYDROQUINOLIN-4(1H)-ONE
CAS No: 36053-96-0 Catalog No: AG00D2DL MDL No:MFCD10697717
Product Description
Catalog Number:
AG00D2DL
Chemical Name:
7-METHYL-2,3-DIHYDROQUINOLIN-4(1H)-ONE
CAS Number:
36053-96-0
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD10697717
IUPAC Name:
7-methyl-2,3-dihydro-1H-quinolin-4-one
InChI:
InChI=1S/C10H11NO/c1-7-2-3-8-9(6-7)11-5-4-10(8)12/h2-3,6,11H,4-5H2,1H3
InChI Key:
VQWWRJNHWRYMLD-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)NCCC2=O
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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