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70746-04-2 | 1,2,3,4-tetrahydroisoquinoline-2-carboxamide
CAS No: 70746-04-2 Catalog No: AG01A8Q9 MDL No:MFCD09737821
Product Description
Catalog Number:
AG01A8Q9
Chemical Name:
1,2,3,4-tetrahydroisoquinoline-2-carboxamide
CAS Number:
70746-04-2
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD09737821
IUPAC Name:
3,4-dihydro-1H-isoquinoline-2-carboxamide
InChI:
InChI=1S/C10H12N2O/c11-10(13)12-6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2,(H2,11,13)
InChI Key:
NCOFBBARJYKKNL-UHFFFAOYSA-N
SMILES:
NC(=O)N1CCc2c(C1)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:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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