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115234-40-7 | 2-Octenoic acid, 8,8-dimethoxy-, methyl ester, (2E)-
CAS No: 115234-40-7 Catalog No: AG000GHY MDL No:
Product Description
Catalog Number:
AG000GHY
Chemical Name:
2-Octenoic acid, 8,8-dimethoxy-, methyl ester, (2E)-
CAS Number:
115234-40-7
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
IUPAC Name:
methyl 8,8-dimethoxyoct-2-enoate
InChI:
InChI=1S/C11H20O4/c1-13-10(12)8-6-4-5-7-9-11(14-2)15-3/h6,8,11H,4-5,7,9H2,1-3H3
InChI Key:
AVYMYEHDXBZWDS-UHFFFAOYSA-N
SMILES:
COC(CCCC/C=C/C(=O)OC)OC
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.277g/mol
Monoisotopic Mass:
216.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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