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Home > Nitro Compounds > 124090-10-4
124090-10-4 | Propanedioic acid, 2-[(4-nitrophenyl)methyl]-, 1,3-dimethyl ester
CAS No: 124090-10-4 Catalog No: AG000LJZ MDL No:
Product Description
Catalog Number:
AG000LJZ
Chemical Name:
Propanedioic acid, 2-[(4-nitrophenyl)methyl]-, 1,3-dimethyl ester
CAS Number:
124090-10-4
Molecular Formula:
C12H13NO6
Molecular Weight:
267.2347
IUPAC Name:
dimethyl 2-[(4-nitrophenyl)methyl]propanedioate
InChI:
InChI=1S/C12H13NO6/c1-18-11(14)10(12(15)19-2)7-8-3-5-9(6-4-8)13(16)17/h3-6,10H,7H2,1-2H3
InChI Key:
HCFICDDPFRMXNM-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.237g/mol
Monoisotopic Mass:
267.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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