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Home > Nitro Compounds > 91004-46-5
91004-46-5 | 3-(3-Nitrophenoxy)propionic Acid
CAS No: 91004-46-5 Catalog No: AG00GUPL MDL No:MFCD09049926
Product Description
Catalog Number:
AG00GUPL
Chemical Name:
3-(3-Nitrophenoxy)propionic Acid
CAS Number:
91004-46-5
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD09049926
IUPAC Name:
3-(3-nitrophenoxy)propanoic acid
InChI:
InChI=1S/C9H9NO5/c11-9(12)4-5-15-8-3-1-2-7(6-8)10(13)14/h1-3,6H,4-5H2,(H,11,12)
InChI Key:
XNYOLXUXRGLEAH-UHFFFAOYSA-N
SMILES:
OC(=O)CCOc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
237
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:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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