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755040-95-0 | Benzoic acid, 3,3'-carbonylbis[6-[(1-naphthalenylcarbonyl)amino]-
CAS No: 755040-95-0 Catalog No: AG005K69 MDL No:
Product Description
Catalog Number:
AG005K69
Chemical Name:
Benzoic acid, 3,3'-carbonylbis[6-[(1-naphthalenylcarbonyl)amino]-
CAS Number:
755040-95-0
Molecular Formula:
C37H24N2O7
Molecular Weight:
608.5957
IUPAC Name:
5-[3-carboxy-4-(naphthalene-1-carbonylamino)benzoyl]-2-(naphthalene-1-carbonylamino)benzoic acid
InChI:
InChI=1S/C37H24N2O7/c40-33(23-15-17-31(29(19-23)36(43)44)38-34(41)27-13-5-9-21-7-1-3-11-25(21)27)24-16-18-32(30(20-24)37(45)46)39-35(42)28-14-6-10-22-8-2-4-12-26(22)28/h1-20H,(H,38,41)(H,39,42)(H,43,44)(H,45,46)
InChI Key:
BKDUCWKFFJGDAC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)C(=O)O)NC(=O)c1cccc2c1cccc2)c1ccc(c(c1)C(=O)O)NC(=O)c1cccc2c1cccc2
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
608.158g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
608.606g/mol
Monoisotopic Mass:
608.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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