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Home > Nitro Compounds > 10572-16-4
10572-16-4 | 3-(4-NITROPHENOXY)PROPIONIC ACID
CAS No: 10572-16-4 Catalog No: AG003I59 MDL No:MFCD00043748
Product Description
Catalog Number:
AG003I59
Chemical Name:
3-(4-NITROPHENOXY)PROPIONIC ACID
CAS Number:
10572-16-4
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD00043748
IUPAC Name:
3-(4-nitrophenoxy)propanoic acid
InChI:
InChI=1S/C9H9NO5/c11-9(12)5-6-15-8-3-1-7(2-4-8)10(13)14/h1-4H,5-6H2,(H,11,12)
InChI Key:
RRQDYEMTBDVXQY-UHFFFAOYSA-N
SMILES:
OC(=O)CCOc1ccc(cc1)[N+](=O)[O-]
NSC Number:
522110
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:
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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