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Home > Nitro Compounds > 860786-10-3
860786-10-3 | 1,3-dimethyl 2-methyl-2-(2-nitrophenyl)propanedioate
CAS No: 860786-10-3 Catalog No: AG00INSB MDL No:MFCD03617786
Product Description
Catalog Number:
AG00INSB
Chemical Name:
1,3-dimethyl 2-methyl-2-(2-nitrophenyl)propanedioate
CAS Number:
860786-10-3
Molecular Formula:
C12H13NO6
Molecular Weight:
267.2347
MDL Number:
MFCD03617786
IUPAC Name:
dimethyl 2-methyl-2-(2-nitrophenyl)propanedioate
InChI:
InChI=1S/C12H13NO6/c1-12(10(14)18-2,11(15)19-3)8-6-4-5-7-9(8)13(16)17/h4-7H,1-3H3
InChI Key:
UBAZCFQMESGGPA-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccccc1[N+](=O)[O-])(C(=O)OC)C
Properties
Complexity:
359
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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