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91842-88-5 | 1,2,3,4-Tetrahydroquinoline-2-carboxamide
CAS No: 91842-88-5 Catalog No: AG01A88Y MDL No:MFCD09811961
Product Description
Catalog Number:
AG01A88Y
Chemical Name:
1,2,3,4-Tetrahydroquinoline-2-carboxamide
CAS Number:
91842-88-5
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD09811961
IUPAC Name:
1,2,3,4-tetrahydroquinoline-2-carboxamide
InChI:
InChI=1S/C10H12N2O/c11-10(13)9-6-5-7-3-1-2-4-8(7)12-9/h1-4,9,12H,5-6H2,(H2,11,13)
InChI Key:
OFBPSKIFXNJCAG-UHFFFAOYSA-N
SMILES:
NC(=O)C1CCc2c(N1)cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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