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898752-02-8 | ETHYL 6-(3-METHOXYPHENYL)-6-OXOHEXANOATE
CAS No: 898752-02-8 Catalog No: AG006OZ1 MDL No:
Product Description
Catalog Number:
AG006OZ1
Chemical Name:
ETHYL 6-(3-METHOXYPHENYL)-6-OXOHEXANOATE
CAS Number:
898752-02-8
Molecular Formula:
C15H20O4
Molecular Weight:
264.3169
IUPAC Name:
ethyl 6-(3-methoxyphenyl)-6-oxohexanoate
InChI:
InChI=1S/C15H20O4/c1-3-19-15(17)10-5-4-9-14(16)12-7-6-8-13(11-12)18-2/h6-8,11H,3-5,9-10H2,1-2H3
InChI Key:
PTNXUCUFAUZYHP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC(=O)c1cccc(c1)OC
Properties
Complexity:
288
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:
0
Isotope Atom Count:
0
Molecular Weight:
264.321g/mol
Monoisotopic Mass:
264.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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