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13794-10-0 | Propanoic acid, 2-(4-nitrophenoxy)-
CAS No: 13794-10-0 Catalog No: AG0017PF MDL No:MFCD03422224
Product Description
Catalog Number:
AG0017PF
Chemical Name:
Propanoic acid, 2-(4-nitrophenoxy)-
CAS Number:
13794-10-0
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD03422224
IUPAC Name:
2-(4-nitrophenoxy)propanoic acid
InChI:
InChI=1S/C9H9NO5/c1-6(9(11)12)15-8-4-2-7(3-5-8)10(13)14/h2-6H,1H3,(H,11,12)
InChI Key:
OYYFEDUOOFSUGM-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
241
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:
1
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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