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Home > Nitro Compounds > 1160293-27-5
1160293-27-5 | Propanedioic acid, 2-[4-(methoxycarbonyl)-2-nitrophenyl]-, 1,3-dimethyl ester
CAS No: 1160293-27-5 Catalog No: AG000BFR MDL No:MFCD22375002
Product Description
Catalog Number:
AG000BFR
Chemical Name:
Propanedioic acid, 2-[4-(methoxycarbonyl)-2-nitrophenyl]-, 1,3-dimethyl ester
CAS Number:
1160293-27-5
Molecular Formula:
C13H13NO8
Molecular Weight:
311.2442
MDL Number:
MFCD22375002
IUPAC Name:
dimethyl 2-(4-methoxycarbonyl-2-nitrophenyl)propanedioate
InChI:
InChI=1S/C13H13NO8/c1-20-11(15)7-4-5-8(9(6-7)14(18)19)10(12(16)21-2)13(17)22-3/h4-6,10H,1-3H3
InChI Key:
PMCBNFSIKVRNNK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])C(C(=O)OC)C(=O)OC
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.064g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.246g/mol
Monoisotopic Mass:
311.064g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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