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887352-68-3 | 3-(Benzophenone-4-carboxamido)-2-maleimidopropanoic Acid
CAS No: 887352-68-3 Catalog No: AG00447Q MDL No:
Product Description
Catalog Number:
AG00447Q
Chemical Name:
3-(Benzophenone-4-carboxamido)-2-maleimidopropanoic Acid
CAS Number:
887352-68-3
Molecular Formula:
C21H16N2O6
Molecular Weight:
392.3615
IUPAC Name:
3-[(4-benzoylbenzoyl)amino]-2-(2,5-dioxopyrrol-1-yl)propanoic acid
InChI:
InChI=1S/C21H16N2O6/c24-17-10-11-18(25)23(17)16(21(28)29)12-22-20(27)15-8-6-14(7-9-15)19(26)13-4-2-1-3-5-13/h1-11,16H,12H2,(H,22,27)(H,28,29)
InChI Key:
INMNTWMKOGDRMG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)c1ccccc1)NCC(N1C(=O)C=CC1=O)C(=O)O
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.101g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.367g/mol
Monoisotopic Mass:
392.101g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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