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119197-67-0 | Acetic acid, 2-[4-nitro-2-(1-oxopropyl)phenoxy]-, methyl ester
CAS No: 119197-67-0 Catalog No: AG000IB0 MDL No:
Product Description
Catalog Number:
AG000IB0
Chemical Name:
Acetic acid, 2-[4-nitro-2-(1-oxopropyl)phenoxy]-, methyl ester
CAS Number:
119197-67-0
Molecular Formula:
C12H13NO6
Molecular Weight:
267.2347
IUPAC Name:
methyl 2-(4-nitro-2-propanoylphenoxy)acetate
InChI:
InChI=1S/C12H13NO6/c1-3-10(14)9-6-8(13(16)17)4-5-11(9)19-7-12(15)18-2/h4-6H,3,7H2,1-2H3
InChI Key:
NMTBTQWLEFRMCD-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(ccc1OCC(=O)OC)[N+](=O)[O-]
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:
6
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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