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6798-05-6 | 2-Methyl-1,4-dihydroisoquinolin-3(2H)-one
CAS No: 6798-05-6 Catalog No: AG00FG6Z MDL No:MFCD13179353
Product Description
Catalog Number:
AG00FG6Z
Chemical Name:
2-Methyl-1,4-dihydroisoquinolin-3(2H)-one
CAS Number:
6798-05-6
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD13179353
IUPAC Name:
2-methyl-1,4-dihydroisoquinolin-3-one
InChI:
InChI=1S/C10H11NO/c1-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-5H,6-7H2,1H3
InChI Key:
NVQVKXJHCXPXIL-UHFFFAOYSA-N
SMILES:
CN1Cc2ccccc2CC1=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:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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