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156572-90-6 | 2-Pentenoic acid, 5,5-dimethoxy-3-methyl-, methyl ester, (2E)-
CAS No: 156572-90-6 Catalog No: AG001OT9 MDL No:
Product Description
Catalog Number:
AG001OT9
Chemical Name:
2-Pentenoic acid, 5,5-dimethoxy-3-methyl-, methyl ester, (2E)-
CAS Number:
156572-90-6
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
methyl 5,5-dimethoxy-3-methylpent-2-enoate
InChI:
InChI=1S/C9H16O4/c1-7(5-8(10)11-2)6-9(12-3)13-4/h5,9H,6H2,1-4H3
InChI Key:
NJMNOHNAELRDQZ-UHFFFAOYSA-N
SMILES:
COC(C/C(=C/C(=O)OC)/C)OC
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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