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4695-90-3 | 5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CAS No: 4695-90-3 Catalog No: AG01BXZC MDL No:MFCD28970080
Product Description
Catalog Number:
AG01BXZC
Chemical Name:
5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CAS Number:
4695-90-3
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD28970080
IUPAC Name:
5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
InChI:
InChI=1S/C10H10N2/c11-5-9-7-12-6-8-3-1-2-4-10(8)9/h6-7H,1-4H2
InChI Key:
VJLKUUUZAYFPAY-UHFFFAOYSA-N
SMILES:
N#Cc1cncc2c1CCCC2
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:
0
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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