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178617-49-7 | Benzoic acid, 2-(1,8-naphthyridin-2-yl)-
CAS No: 178617-49-7 Catalog No: AG00266U MDL No:MFCD00203184
Product Description
Catalog Number:
AG00266U
Chemical Name:
Benzoic acid, 2-(1,8-naphthyridin-2-yl)-
CAS Number:
178617-49-7
Molecular Formula:
C15H10N2O2
Molecular Weight:
250.2521
MDL Number:
MFCD00203184
IUPAC Name:
2-(1,8-naphthyridin-2-yl)benzoic acid
InChI:
InChI=1S/C15H10N2O2/c18-15(19)12-6-2-1-5-11(12)13-8-7-10-4-3-9-16-14(10)17-13/h1-9H,(H,18,19)
InChI Key:
GESFCCAHDCEFFP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1c1ccc2c(n1)nccc2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.257g/mol
Monoisotopic Mass:
250.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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