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88209-01-2 | Benzeneheptanoic acid, 4-formyl-3,5-dimethoxy-, ethyl ester
CAS No: 88209-01-2 Catalog No: AG004BMG MDL No:
Product Description
Catalog Number:
AG004BMG
Chemical Name:
Benzeneheptanoic acid, 4-formyl-3,5-dimethoxy-, ethyl ester
CAS Number:
88209-01-2
Molecular Formula:
C18H26O5
Molecular Weight:
322.3960
IUPAC Name:
ethyl 7-(4-formyl-3,5-dimethoxyphenyl)heptanoate
InChI:
InChI=1S/C18H26O5/c1-4-23-18(20)10-8-6-5-7-9-14-11-16(21-2)15(13-19)17(12-14)22-3/h11-13H,4-10H2,1-3H3
InChI Key:
NMEBIEQFYBRHJP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCc1cc(OC)c(c(c1)OC)C=O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.178g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.401g/mol
Monoisotopic Mass:
322.178g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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