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1185180-57-7 | Ethyl 2-Methyl-3-(2-nitrophenyl)propanoate
CAS No: 1185180-57-7 Catalog No: AG003Q4O MDL No:MFCD27986820
Product Description
Catalog Number:
AG003Q4O
Chemical Name:
Ethyl 2-Methyl-3-(2-nitrophenyl)propanoate
CAS Number:
1185180-57-7
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
MDL Number:
MFCD27986820
IUPAC Name:
ethyl 2-methyl-3-(2-nitrophenyl)propanoate
InChI:
InChI=1S/C12H15NO4/c1-3-17-12(14)9(2)8-10-6-4-5-7-11(10)13(15)16/h4-7,9H,3,8H2,1-2H3
InChI Key:
MMMUPDYQDIVXAM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Cc1ccccc1[N+](=O)[O-])C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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