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101444-89-7 | Benzoic acid, 4-[[3-[(4-carboxyphenyl)amino]-2-propen-1-ylidene]amino]-
CAS No: 101444-89-7 Catalog No: AG0004I9 MDL No:
Product Description
Catalog Number:
AG0004I9
Chemical Name:
Benzoic acid, 4-[[3-[(4-carboxyphenyl)amino]-2-propen-1-ylidene]amino]-
CAS Number:
101444-89-7
Molecular Formula:
C17H14N2O4
Molecular Weight:
310.3041
IUPAC Name:
4-[3-(4-carboxyphenyl)iminoprop-1-enylamino]benzoic acid
InChI:
InChI=1S/C17H14N2O4/c20-16(21)12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(5-9-15)17(22)23/h1-11,18H,(H,20,21)(H,22,23)
InChI Key:
AYNKCCXQNCPPTG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)NC=CC=Nc1ccc(cc1)C(=O)O
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
310.309g/mol
Monoisotopic Mass:
310.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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