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139675-88-0 | Benzenepentanoic acid, 4-(dimethylamino)-δ-oxo-
CAS No: 139675-88-0 Catalog No: AG001BHX MDL No:
Product Description
Catalog Number:
AG001BHX
Chemical Name:
Benzenepentanoic acid, 4-(dimethylamino)-δ-oxo-
CAS Number:
139675-88-0
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
5-[4-(dimethylamino)phenyl]-5-oxopentanoic acid
InChI:
InChI=1S/C13H17NO3/c1-14(2)11-8-6-10(7-9-11)12(15)4-3-5-13(16)17/h6-9H,3-5H2,1-2H3,(H,16,17)
InChI Key:
DVNXKZVNVLNILY-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C(=O)CCCC(=O)O)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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