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76620-02-5 | Benzaldehyde, 3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-
CAS No: 76620-02-5 Catalog No: AG005APO MDL No:
Product Description
Catalog Number:
AG005APO
Chemical Name:
Benzaldehyde, 3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-
CAS Number:
76620-02-5
Molecular Formula:
C11H7NO3
Molecular Weight:
201.1782
IUPAC Name:
3-(2,5-dioxopyrrol-1-yl)benzaldehyde
InChI:
InChI=1S/C11H7NO3/c13-7-8-2-1-3-9(6-8)12-10(14)4-5-11(12)15/h1-7H
InChI Key:
HEWIMBSYHHCGKZ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)N1C(=O)C=CC1=O
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.181g/mol
Monoisotopic Mass:
201.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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