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Home > Quinoline > 1471468-84-4
1471468-84-4 | 5-oxo-5,6,7,8-tetrahydroquinoline-2-carbonitrile
CAS No: 1471468-84-4 Catalog No: AG00ASJW MDL No:MFCD30183344
Product Description
Catalog Number:
AG00ASJW
Chemical Name:
5-oxo-5,6,7,8-tetrahydroquinoline-2-carbonitrile
CAS Number:
1471468-84-4
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD30183344
IUPAC Name:
5-oxo-7,8-dihydro-6H-quinoline-2-carbonitrile
InChI:
InChI=1S/C10H8N2O/c11-6-7-4-5-8-9(12-7)2-1-3-10(8)13/h4-5H,1-3H2
InChI Key:
DRUKTSLDCFAWHF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(n1)CCCC2=O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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