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Home > Nitro Compounds > 90564-19-5
90564-19-5 | 2-ethyl-5-nitrobenzoic acid
CAS No: 90564-19-5 Catalog No: AG00H4KM MDL No:MFCD23725859
Product Description
Catalog Number:
AG00H4KM
Chemical Name:
2-ethyl-5-nitrobenzoic acid
CAS Number:
90564-19-5
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD23725859
IUPAC Name:
2-ethyl-5-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO4/c1-2-6-3-4-7(10(13)14)5-8(6)9(11)12/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
INGAGVLEDDEDMY-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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