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24717-85-9

24717-85-9 | 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octen-1-yl ester, (2E)-

CAS No: 24717-85-9 Catalog No: AG002P70 MDL No:

Product Description

Catalog Number:
AG002P70
Chemical Name:
2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octen-1-yl ester, (2E)-
CAS Number:
24717-85-9
Molecular Formula:
C15H26O2
Molecular Weight:
238.3657
IUPAC Name:
3,7-dimethyloct-6-enyl (E)-2-methylbut-2-enoate
InChI:
InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3/b14-6+
InChI Key:
UCFQYMKLDPWFHZ-MKMNVTDBSA-N
SMILES:
C/C=C(/C(=O)OCCC(CCC=C(C)C)C)\C
EC Number:
246-426-2
FEMA Number:
4295

Properties

Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
238.193g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.371g/mol
Monoisotopic Mass:
238.193g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

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