Home Carboxys 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, methyl ester,hydrochloride

3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, methyl ester,hydrochloride

CAS No.:
6197-39-3
Catalog Number:
AG00IAY7
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
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Product Description
Catalog Number:
AG00IAY7
Chemical Name:
3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, methyl ester,hydrochloride
CAS Number:
6197-39-3
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
MDL Number:
MFCD01692012
IUPAC Name:
methyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrochloride
InChI:
InChI=1S/C7H11NO2.ClH/c1-10-7(9)6-3-2-4-8-5-6;/h3,8H,2,4-5H2,1H3;1H
InChI Key:
ZWALOEQHJRUTKM-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CCCNC1.Cl
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.056g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.628g/mol
Monoisotopic Mass:
177.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties