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190718-41-3 | 5-Hexenoic acid, 4-(2,2-dimethoxyethyl)-5-methyl-, methyl ester, (4S)-
CAS No: 190718-41-3 Catalog No: AG002EQX MDL No:
Product Description
Catalog Number:
AG002EQX
Chemical Name:
5-Hexenoic acid, 4-(2,2-dimethoxyethyl)-5-methyl-, methyl ester, (4S)-
CAS Number:
190718-41-3
Molecular Formula:
C12H22O4
Molecular Weight:
230.3007
IUPAC Name:
methyl (4S)-4-(2,2-dimethoxyethyl)-5-methylhex-5-enoate
InChI:
InChI=1S/C12H22O4/c1-9(2)10(6-7-11(13)14-3)8-12(15-4)16-5/h10,12H,1,6-8H2,2-5H3/t10-/m0/s1
InChI Key:
OCFSNKAQVAWSLM-JTQLQIEISA-N
SMILES:
COC(=O)CC[C@H](C(=C)C)CC(OC)OC
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
230.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.304g/mol
Monoisotopic Mass:
230.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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