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Home > Nitro Compounds > 75122-96-2
75122-96-2 | p-propoxynitrobenzene
CAS No: 75122-96-2 Catalog No: AG005EAK MDL No:
Product Description
Catalog Number:
AG005EAK
Chemical Name:
p-propoxynitrobenzene
CAS Number:
75122-96-2
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
2-(3,4-dichlorophenyl)-2-hydroxypropanoic acid
InChI:
InChI=1S/C9H8Cl2O3/c1-9(14,8(12)13)5-2-3-6(10)7(11)4-5/h2-4,14H,1H3,(H,12,13)
InChI Key:
SITLKJHBGQMYGI-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)[N+](=O)[O-]
EC Number:
278-073-5
NSC Number:
239077
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.06g/mol
Monoisotopic Mass:
233.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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