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208242-78-8 | 4-Pentenoic acid, 2-hydroxy-4-methyl-, ethyl ester, (2S)-
CAS No: 208242-78-8 Catalog No: AG002JKS MDL No:
Product Description
Catalog Number:
AG002JKS
Chemical Name:
4-Pentenoic acid, 2-hydroxy-4-methyl-, ethyl ester, (2S)-
CAS Number:
208242-78-8
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
ethyl (2S)-2-hydroxy-4-methylpent-4-enoate
InChI:
InChI=1S/C8H14O3/c1-4-11-8(10)7(9)5-6(2)3/h7,9H,2,4-5H2,1,3H3/t7-/m0/s1
InChI Key:
CTWBUSFMNWOSGO-ZETCQYMHSA-N
SMILES:
CCOC(=O)[C@H](CC(=C)C)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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