Home Nitros 2-[(4-nitrophenyl)methyl]butanoic acid

2-[(4-nitrophenyl)methyl]butanoic acid

CAS No.:
1248983-13-2
Catalog Number:
AG01A6DE
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
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Product Description
Catalog Number:
AG01A6DE
Chemical Name:
2-[(4-nitrophenyl)methyl]butanoic acid
CAS Number:
1248983-13-2
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD12794555
IUPAC Name:
2-[(4-nitrophenyl)methyl]butanoic acid
InChI:
InChI=1S/C11H13NO4/c1-2-9(11(13)14)7-8-3-5-10(6-4-8)12(15)16/h3-6,9H,2,7H2,1H3,(H,13,14)
InChI Key:
GXXVOCAHIFODMZ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Cc1ccc(cc1)[N+](=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:
2.8  
Properties