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110728-99-9 | 2-(4-nitrophenyl)pentanoic acid
CAS No: 110728-99-9 Catalog No: AG00IN93 MDL No:MFCD03617655
Product Description
Catalog Number:
AG00IN93
Chemical Name:
2-(4-nitrophenyl)pentanoic acid
CAS Number:
110728-99-9
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD03617655
IUPAC Name:
2-(4-nitrophenyl)pentanoic acid
InChI:
InChI=1S/C11H13NO4/c1-2-3-10(11(13)14)8-4-6-9(7-5-8)12(15)16/h4-7,10H,2-3H2,1H3,(H,13,14)
InChI Key:
QURBJKKJAXCORK-UHFFFAOYSA-N
SMILES:
CCCC(c1ccc(cc1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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