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Home > Nitro Compounds > 131675-32-6
131675-32-6 | 1,3-dimethyl 2-methyl-2-(4-nitrophenyl)propanedioate
CAS No: 131675-32-6 Catalog No: AG00IYU3 MDL No:MFCD03305738
Product Description
Catalog Number:
AG00IYU3
Chemical Name:
1,3-dimethyl 2-methyl-2-(4-nitrophenyl)propanedioate
CAS Number:
131675-32-6
Molecular Formula:
C12H13NO6
Molecular Weight:
267.2347
MDL Number:
MFCD03305738
IUPAC Name:
dimethyl 2-methyl-2-(4-nitrophenyl)propanedioate
InChI:
InChI=1S/C12H13NO6/c1-12(10(14)18-2,11(15)19-3)8-4-6-9(7-5-8)13(16)17/h4-7H,1-3H3
InChI Key:
RFISOAYKEOMLCU-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)[N+](=O)[O-])(C(=O)OC)C
Properties
Complexity:
351
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:
5
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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