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88521-63-5 | Acetic acid, (2-acetyl-4-nitrophenoxy)-
CAS No: 88521-63-5 Catalog No: AG00482H MDL No:
Product Description
Catalog Number:
AG00482H
Chemical Name:
Acetic acid, (2-acetyl-4-nitrophenoxy)-
CAS Number:
88521-63-5
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
IUPAC Name:
2-(2-acetyl-4-nitrophenoxy)acetic acid
InChI:
InChI=1S/C10H9NO6/c1-6(12)8-4-7(11(15)16)2-3-9(8)17-5-10(13)14/h2-4H,5H2,1H3,(H,13,14)
InChI Key:
PSUXXDHFQIYRSL-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1C(=O)C)[N+](=O)[O-]
NSC Number:
624899
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.183g/mol
Monoisotopic Mass:
239.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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