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82343-47-3 | 2-Hexenoic acid, 5-methoxy-3,5-dimethyl-, ethyl ester, (Z)-
CAS No: 82343-47-3 Catalog No: AG005DNY MDL No:
Product Description
Catalog Number:
AG005DNY
Chemical Name:
2-Hexenoic acid, 5-methoxy-3,5-dimethyl-, ethyl ester, (Z)-
CAS Number:
82343-47-3
Molecular Formula:
C11H20O3
Molecular Weight:
200.2747
IUPAC Name:
ethyl 5-methoxy-3,5-dimethylhex-2-enoate
InChI:
InChI=1S/C11H20O3/c1-6-14-10(12)7-9(2)8-11(3,4)13-5/h7H,6,8H2,1-5H3
InChI Key:
XETHESWZNOLXDD-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(\CC(OC)(C)C)/C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.141g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.278g/mol
Monoisotopic Mass:
200.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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