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939758-72-2 | 1,2,3,4-tetrahydroquinoline-5-carbonitrile
CAS No: 939758-72-2 Catalog No: AG01C4Z7 MDL No:MFCD08544265
Product Description
Catalog Number:
AG01C4Z7
Chemical Name:
1,2,3,4-tetrahydroquinoline-5-carbonitrile
CAS Number:
939758-72-2
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD08544265
IUPAC Name:
1,2,3,4-tetrahydroquinoline-5-carbonitrile
InChI:
InChI=1S/C10H10N2/c11-7-8-3-1-5-10-9(8)4-2-6-12-10/h1,3,5,12H,2,4,6H2
InChI Key:
ZAEOGUPVWLRFEK-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1CCCN2
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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