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18847-18-2 | Benzenepentanoic acid, 4-(1-methylethyl)-δ-oxo-
CAS No: 18847-18-2 Catalog No: AG002GX5 MDL No:MFCD02260953
Product Description
Catalog Number:
AG002GX5
Chemical Name:
Benzenepentanoic acid, 4-(1-methylethyl)-δ-oxo-
CAS Number:
18847-18-2
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
MDL Number:
MFCD02260953
IUPAC Name:
5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid
InChI:
InChI=1S/C14H18O3/c1-10(2)11-6-8-12(9-7-11)13(15)4-3-5-14(16)17/h6-10H,3-5H2,1-2H3,(H,16,17)
InChI Key:
ZDLSMQFJULLIEF-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C(=O)CCCC(=O)O)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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