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19786-48-2 | Acetic acid, 2-(4-nitrophenoxy)-, methyl ester
CAS No: 19786-48-2 Catalog No: AG002B50 MDL No:MFCD01035955
Product Description
Catalog Number:
AG002B50
Chemical Name:
Acetic acid, 2-(4-nitrophenoxy)-, methyl ester
CAS Number:
19786-48-2
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD01035955
IUPAC Name:
methyl 2-(4-nitrophenoxy)acetate
InChI:
InChI=1S/C9H9NO5/c1-14-9(11)6-15-8-4-2-7(3-5-8)10(12)13/h2-5H,6H2,1H3
InChI Key:
ZZVXTAUUUUCLAG-UHFFFAOYSA-N
SMILES:
COC(=O)COc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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