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208175-66-0 | Benzoic acid, 4-[[(2-naphthalenylcarbonyl)amino]methyl]-
CAS No: 208175-66-0 Catalog No: AG002JJK MDL No:
Product Description
Catalog Number:
AG002JJK
Chemical Name:
Benzoic acid, 4-[[(2-naphthalenylcarbonyl)amino]methyl]-
CAS Number:
208175-66-0
Molecular Formula:
C19H15NO3
Molecular Weight:
305.3273
IUPAC Name:
4-[(naphthalene-2-carbonylamino)methyl]benzoic acid
InChI:
InChI=1S/C19H15NO3/c21-18(17-10-9-14-3-1-2-4-16(14)11-17)20-12-13-5-7-15(8-6-13)19(22)23/h1-11H,12H2,(H,20,21)(H,22,23)
InChI Key:
DJLTYYCIGWOEDE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)cccc2)NCc1ccc(cc1)C(=O)O
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.105g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.333g/mol
Monoisotopic Mass:
305.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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