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114150-57-1 | Benzenehexanoic acid, γ,ε-dioxo-
CAS No: 114150-57-1 Catalog No: AG000AOC MDL No:MFCD12025948
Product Description
Catalog Number:
AG000AOC
Chemical Name:
Benzenehexanoic acid, γ,ε-dioxo-
CAS Number:
114150-57-1
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD12025948
IUPAC Name:
4,6-dioxo-6-phenylhexanoic acid
InChI:
InChI=1S/C12H12O4/c13-10(6-7-12(15)16)8-11(14)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,15,16)
InChI Key:
RYHMWKGXNUBZPO-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)c1ccccc1)CCC(=O)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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