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24646-25-1 | Benzeneacetic acid, α-ethyl-4-nitro-, methyl ester
CAS No: 24646-25-1 Catalog No: AG002OX6 MDL No:MFCD10758074
Product Description
Catalog Number:
AG002OX6
Chemical Name:
Benzeneacetic acid, α-ethyl-4-nitro-, methyl ester
CAS Number:
24646-25-1
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD10758074
IUPAC Name:
methyl 2-(4-nitrophenyl)butanoate
InChI:
InChI=1S/C11H13NO4/c1-3-10(11(13)16-2)8-4-6-9(7-5-8)12(14)15/h4-7,10H,3H2,1-2H3
InChI Key:
RJRSBLADCYAQKP-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)[N+](=O)[O-])C(=O)OC
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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