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1481953-57-4 | 4-(3,5-dioxopiperazin-1-yl)benzaldehyde
CAS No: 1481953-57-4 Catalog No: AG01BRJL MDL No:MFCD21682652
Product Description
Catalog Number:
AG01BRJL
Chemical Name:
4-(3,5-dioxopiperazin-1-yl)benzaldehyde
CAS Number:
1481953-57-4
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD21682652
IUPAC Name:
4-(3,5-dioxopiperazin-1-yl)benzaldehyde
InChI:
InChI=1S/C11H10N2O3/c14-7-8-1-3-9(4-2-8)13-5-10(15)12-11(16)6-13/h1-4,7H,5-6H2,(H,12,15,16)
InChI Key:
SVEKQVMRZARJSE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1CC(=O)NC(=O)C1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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