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122004-99-3 | Benzenehexanoic acid, 4-methoxy-3,5-dimethyl-ε-oxo-
CAS No: 122004-99-3 Catalog No: AG0016M5 MDL No:
Product Description
Catalog Number:
AG0016M5
Chemical Name:
Benzenehexanoic acid, 4-methoxy-3,5-dimethyl-ε-oxo-
CAS Number:
122004-99-3
Molecular Formula:
C15H20O4
Molecular Weight:
264.3169
IUPAC Name:
6-(4-methoxy-3,5-dimethylphenyl)-6-oxohexanoic acid
InChI:
InChI=1S/C15H20O4/c1-10-8-12(9-11(2)15(10)19-3)13(16)6-4-5-7-14(17)18/h8-9H,4-7H2,1-3H3,(H,17,18)
InChI Key:
HHVBXODSXYCXGI-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1C)C(=O)CCCCC(=O)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.321g/mol
Monoisotopic Mass:
264.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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