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84613-43-4 | 2-Pentenoic acid, 3-hydroxy-4-methyl-, ethyl ester
CAS No: 84613-43-4 Catalog No: AG004TRP MDL No:
Product Description
Catalog Number:
AG004TRP
Chemical Name:
2-Pentenoic acid, 3-hydroxy-4-methyl-, ethyl ester
CAS Number:
84613-43-4
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
ethyl 3-hydroxy-4-methylpent-2-enoate
InChI:
InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h5-6,9H,4H2,1-3H3
InChI Key:
UDHRRZQTINAZHF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(C(C)C)O
Properties
Complexity:
159
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:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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