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70079-42-4 | 4-Methyl-3,4-dihydroisoquinolin-1(2H)-one
CAS No: 70079-42-4 Catalog No: AG005R6N MDL No:MFCD04114874
Product Description
Catalog Number:
AG005R6N
Chemical Name:
4-Methyl-3,4-dihydroisoquinolin-1(2H)-one
CAS Number:
70079-42-4
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD04114874
IUPAC Name:
4-methyl-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C10H11NO/c1-7-6-11-10(12)9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3,(H,11,12)
InChI Key:
QWSNVLHWJMUVCZ-UHFFFAOYSA-N
SMILES:
O=C1NCC(c2c1cccc2)C
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:
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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