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147253-96-1 | 4-Hexenoic acid, 3-hydroxy-2-methyl-, methyl ester, (2R,3S,4E)-
CAS No: 147253-96-1 Catalog No: AG001EQQ MDL No:
Product Description
Catalog Number:
AG001EQQ
Chemical Name:
4-Hexenoic acid, 3-hydroxy-2-methyl-, methyl ester, (2R,3S,4E)-
CAS Number:
147253-96-1
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
methyl 3-hydroxy-2-methylhex-4-enoate
InChI:
InChI=1S/C8H14O3/c1-4-5-7(9)6(2)8(10)11-3/h4-7,9H,1-3H3
InChI Key:
JEHGEKPSUMDBCP-UHFFFAOYSA-N
SMILES:
C/C=C/[C@@H]([C@H](C(=O)OC)C)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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