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89272-49-1

89272-49-1 | 8-Decenoic acid, 4-formyl-5,9-dimethyl-, ethyl ester

CAS No: 89272-49-1 Catalog No: AG004179 MDL No:

Product Description

Catalog Number:
AG004179
Chemical Name:
8-Decenoic acid, 4-formyl-5,9-dimethyl-, ethyl ester
CAS Number:
89272-49-1
Molecular Formula:
C15H26O3
Molecular Weight:
254.3651
IUPAC Name:
ethyl 4-formyl-5,9-dimethyldec-8-enoate
InChI:
InChI=1S/C15H26O3/c1-5-18-15(17)10-9-14(11-16)13(4)8-6-7-12(2)3/h7,11,13-14H,5-6,8-10H2,1-4H3
InChI Key:
IURQYCVLNVCKEF-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(C(CCC=C(C)C)C)C=O

Properties

Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.188g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.37g/mol
Monoisotopic Mass:
254.188g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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