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1012057-22-5 | Benzoic acid, 3-[(7-ethoxy-7-oxoheptyl)oxy]-4-methoxy-, ethyl ester
CAS No: 1012057-22-5 Catalog No: AG0003Y8 MDL No:MFCD16877546
Product Description
Catalog Number:
AG0003Y8
Chemical Name:
Benzoic acid, 3-[(7-ethoxy-7-oxoheptyl)oxy]-4-methoxy-, ethyl ester
CAS Number:
1012057-22-5
Molecular Formula:
C19H28O6
Molecular Weight:
352.4220
MDL Number:
MFCD16877546
IUPAC Name:
ethyl 3-(7-ethoxy-7-oxoheptoxy)-4-methoxybenzoate
InChI:
InChI=1S/C19H28O6/c1-4-23-18(20)10-8-6-7-9-13-25-17-14-15(19(21)24-5-2)11-12-16(17)22-3/h11-12,14H,4-10,13H2,1-3H3
InChI Key:
JBPSFOJVQGZGPI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCOc1cc(ccc1OC)C(=O)OCC
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.189g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.427g/mol
Monoisotopic Mass:
352.189g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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