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60444-78-2 | 2,5-Dioxopyrrolidin-1-yl 4-formylbenzoate
CAS No: 60444-78-2 Catalog No: AG003TNN MDL No:MFCD00133733
Product Description
Catalog Number:
AG003TNN
Chemical Name:
2,5-Dioxopyrrolidin-1-yl 4-formylbenzoate
CAS Number:
60444-78-2
Molecular Formula:
C12H9NO5
Molecular Weight:
247.2036
MDL Number:
MFCD00133733
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate
InChI:
InChI=1S/C12H9NO5/c14-7-8-1-3-9(4-2-8)12(17)18-13-10(15)5-6-11(13)16/h1-4,7H,5-6H2
InChI Key:
VHYRHFNOWKMCHQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(=O)ON1C(=O)CCC1=O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.206g/mol
Monoisotopic Mass:
247.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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