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312515-37-0 | 4-(4-Carboxy-benzylidene)-2-methyl-5-oxo-4
CAS No: 312515-37-0 Catalog No: AG01FO56 MDL No:
Product Description
Catalog Number:
AG01FO56
Chemical Name:
4-(4-Carboxy-benzylidene)-2-methyl-5-oxo-4
CAS Number:
312515-37-0
IUPAC Name:
4-[(4-methoxycarbonyl-5-methyl-2-oxo-1H-pyrrol-3-ylidene)methyl]benzoic acid
InChI:
InChI=1S/C15H13NO5/c1-8-12(15(20)21-2)11(13(17)16-8)7-9-3-5-10(6-4-9)14(18)19/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChI Key:
NJHMLOWAEDELEO-UHFFFAOYSA-N
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.271g/mol
Monoisotopic Mass:
287.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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