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50741-36-1 | 1,2,3,4-Tetrahydroquinoline-6-carbonitrile
CAS No: 50741-36-1 Catalog No: AG00DK3J MDL No:MFCD14534464
Product Description
Catalog Number:
AG00DK3J
Chemical Name:
1,2,3,4-Tetrahydroquinoline-6-carbonitrile
CAS Number:
50741-36-1
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD14534464
IUPAC Name:
1,2,3,4-tetrahydroquinoline-6-carbonitrile
InChI:
InChI=1S/C10H10N2/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6,12H,1-2,5H2
InChI Key:
YPCHNZDCUARXNN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)CCCN2
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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