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19077-61-3 | Benzoic acid, 2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, methyl ester
CAS No: 19077-61-3 Catalog No: AG002ERM MDL No:MFCD00175136
Product Description
Catalog Number:
AG002ERM
Chemical Name:
Benzoic acid, 2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, methyl ester
CAS Number:
19077-61-3
Molecular Formula:
C12H9NO4
Molecular Weight:
231.2042
MDL Number:
MFCD00175136
IUPAC Name:
methyl 2-(2,5-dioxopyrrol-1-yl)benzoate
InChI:
InChI=1S/C12H9NO4/c1-17-12(16)8-4-2-3-5-9(8)13-10(14)6-7-11(13)15/h2-7H,1H3
InChI Key:
LCWKOBRYDWGUOQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1N1C(=O)C=CC1=O
NSC Number:
144970
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.207g/mol
Monoisotopic Mass:
231.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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