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1374651-91-8 | 2-dihydro-2-Methyl-1-oxoisoquinoline-5-carbonitrile
CAS No: 1374651-91-8 Catalog No: AG00AAUS MDL No:MFCD22376801
Product Description
Catalog Number:
AG00AAUS
Chemical Name:
2-dihydro-2-Methyl-1-oxoisoquinoline-5-carbonitrile
CAS Number:
1374651-91-8
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD22376801
IUPAC Name:
2-methyl-1-oxoisoquinoline-5-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-13-6-5-9-8(7-12)3-2-4-10(9)11(13)14/h2-6H,1H3
InChI Key:
KGTFVVPACZPJLO-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1ccn(c2=O)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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