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1160995-15-2 | 1,6-Naphthyridine-2-carboxylic acid, 5,6,7,8-tetrahydro-6-(phenylmethyl)-
CAS No: 1160995-15-2 Catalog No: AG000BMM MDL No:MFCD12400784
Product Description
Catalog Number:
AG000BMM
Chemical Name:
1,6-Naphthyridine-2-carboxylic acid, 5,6,7,8-tetrahydro-6-(phenylmethyl)-
CAS Number:
1160995-15-2
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
MDL Number:
MFCD12400784
IUPAC Name:
6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
InChI:
InChI=1S/C16H16N2O2/c19-16(20)15-7-6-13-11-18(9-8-14(13)17-15)10-12-4-2-1-3-5-12/h1-7H,8-11H2,(H,19,20)
InChI Key:
NCPNSYDXGVRYAJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(n1)CCN(C2)Cc1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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