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84254-89-7 | 2-Butenoic acid,2-methyl-, 3,7-dimethyl-6-octen-1-yl ester, (2Z)-
CAS No: 84254-89-7 Catalog No: AG004U6Y MDL No:
Product Description
Catalog Number:
AG004U6Y
Chemical Name:
2-Butenoic acid,2-methyl-, 3,7-dimethyl-6-octen-1-yl ester, (2Z)-
CAS Number:
84254-89-7
Molecular Formula:
C15H26O2
Molecular Weight:
238.3657
IUPAC Name:
3,7-dimethyloct-6-enyl (Z)-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-NSIKDUERSA-N
SMILES:
C/C=C(\C(=O)OCCC(CCC=C(C)C)C)/C
EC Number:
282-535-1
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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