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Home > Nitro Compounds > 87411-43-6
87411-43-6 | Pentanoic acid, 5-(3-nitrophenoxy)-
CAS No: 87411-43-6 Catalog No: AG004N5K MDL No:
Product Description
Catalog Number:
AG004N5K
Chemical Name:
Pentanoic acid, 5-(3-nitrophenoxy)-
CAS Number:
87411-43-6
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
IUPAC Name:
5-(3-nitrophenoxy)pentanoic acid
InChI:
InChI=1S/C11H13NO5/c13-11(14)6-1-2-7-17-10-5-3-4-9(8-10)12(15)16/h3-5,8H,1-2,6-7H2,(H,13,14)
InChI Key:
OSRLQSKIVWSUTD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCOc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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