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1253888-80-0 | 1,7-Naphthyridine-3-carboxylic acid, 5,6,7,8-tetrahydro-, methyl ester
CAS No: 1253888-80-0 Catalog No: AG000NLD MDL No:MFCD11847919
Product Description
Catalog Number:
AG000NLD
Chemical Name:
1,7-Naphthyridine-3-carboxylic acid, 5,6,7,8-tetrahydro-, methyl ester
CAS Number:
1253888-80-0
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
MDL Number:
MFCD11847919
IUPAC Name:
methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate
InChI:
InChI=1S/C10H12N2O2/c1-14-10(13)8-4-7-2-3-11-6-9(7)12-5-8/h4-5,11H,2-3,6H2,1H3
InChI Key:
RWKGYDMSJZUVNO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)CCNC2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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