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Home Other Building Blocks (2E,4E,6E,8E)-9-(4-METHOXY-2,3,6-TRIMETHYL-PHENYL)-3,7-DIMETHYL-NONA-2,4,6,8-TETRAENOIC ACID BUTYL ESTER

(2E,4E,6E,8E)-9-(4-METHOXY-2,3,6-TRIMETHYL-PHENYL)-3,7-DIMETHYL-NONA-2,4,6,8-TETRAENOIC ACID BUTYL ESTER

CAS No.:
54757-45-8
Catalog Number:
AG00DEJT
Molecular Formula:
C25H34O3
Molecular Weight:
382.5357
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Product Description
Catalog Number:
AG00DEJT
Chemical Name:
(2E,4E,6E,8E)-9-(4-METHOXY-2,3,6-TRIMETHYL-PHENYL)-3,7-DIMETHYL-NONA-2,4,6,8-TETRAENOIC ACID BUTYL ESTER
CAS Number:
54757-45-8
Molecular Formula:
C25H34O3
Molecular Weight:
382.5357
MDL Number:
MFCD09033283
IUPAC Name:
butyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
InChI:
InChI=1S/C25H34O3/c1-8-9-15-28-25(26)16-19(3)12-10-11-18(2)13-14-23-20(4)17-24(27-7)22(6)21(23)5/h10-14,16-17H,8-9,15H2,1-7H3/b12-10+,14-13+,18-11+,19-16+
InChI Key:
UZNLIQTXVFPNBK-KMGRWALASA-N
SMILES:
CCCCOC(=O)/C=C(/C=C/C=C(/C=C/c1c(C)cc(c(c1C)C)OC)\C)\C
Properties
Complexity:
597  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4  
Exact Mass:
382.251g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.544g/mol
Monoisotopic Mass:
382.251g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7  
Properties