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295357-72-1 | 2-(4-nitro-1-oxoisoindolin-2-yl)pentanedioic acid
CAS No: 295357-72-1 Catalog No: AG01DJMK MDL No:
Product Description
Catalog Number:
AG01DJMK
Chemical Name:
2-(4-nitro-1-oxoisoindolin-2-yl)pentanedioic acid
CAS Number:
295357-72-1
Molecular Formula:
C13H12N2O7
Molecular Weight:
308.2436
IUPAC Name:
2-(7-nitro-3-oxo-1H-isoindol-2-yl)pentanedioic acid
InChI:
InChI=1S/C13H12N2O7/c16-11(17)5-4-10(13(19)20)14-6-8-7(12(14)18)2-1-3-9(8)15(21)22/h1-3,10H,4-6H2,(H,16,17)(H,19,20)
InChI Key:
RZPMMKDWVZJPMQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(N1Cc2c(C1=O)cccc2[N+](=O)[O-])C(=O)O
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.064g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.246g/mol
Monoisotopic Mass:
308.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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