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179686-87-4 | 3-Pyridinecarboxylic acid, 6-amino-2,3,4,5-tetrahydro-4-methyl-, trans- (9CI)
CAS No: 179686-87-4 Catalog No: AG002778 MDL No:
Product Description
Catalog Number:
AG002778
Chemical Name:
3-Pyridinecarboxylic acid, 6-amino-2,3,4,5-tetrahydro-4-methyl-, trans- (9CI)
CAS Number:
179686-87-4
Molecular Formula:
C7H12N2O2
Molecular Weight:
156.1824
IUPAC Name:
(3S,4R)-6-amino-4-methyl-2,3,4,5-tetrahydropyridine-3-carboxylic acid
InChI:
InChI=1S/C7H12N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h4-5H,2-3H2,1H3,(H2,8,9)(H,10,11)/t4-,5-/m1/s1
InChI Key:
YLVAADQAGXRREC-RFZPGFLSSA-N
SMILES:
C[C@@H]1CC(=NC[C@H]1C(=O)O)N
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
156.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.185g/mol
Monoisotopic Mass:
156.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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