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1253792-57-2 | 1,7-Naphthyridine-3-carboxylic acid, 5,6,7,8-tetrahydro-, methyl ester, hydrochloride (1:1)
CAS No: 1253792-57-2 Catalog No: AG000NLN MDL No:MFCD15071678
Product Description
Catalog Number:
AG000NLN
Chemical Name:
1,7-Naphthyridine-3-carboxylic acid, 5,6,7,8-tetrahydro-, methyl ester, hydrochloride (1:1)
CAS Number:
1253792-57-2
Molecular Formula:
C10H13ClN2O2
Molecular Weight:
228.6754
MDL Number:
MFCD15071678
IUPAC Name:
methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C10H12N2O2.ClH/c1-14-10(13)8-4-7-2-3-11-6-9(7)12-5-8;/h4-5,11H,2-3,6H2,1H3;1H
InChI Key:
PUXNZPFRFJIUCF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)CCNC2.Cl
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.676g/mol
Monoisotopic Mass:
228.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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