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210752-54-8 | 2-Butenoic acid, 2-(1-hydroxyethyl)-, ethyl ester, (2Z)-
CAS No: 210752-54-8 Catalog No: AG002KXV MDL No:
Product Description
Catalog Number:
AG002KXV
Chemical Name:
2-Butenoic acid, 2-(1-hydroxyethyl)-, ethyl ester, (2Z)-
CAS Number:
210752-54-8
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
ethyl 2-(1-hydroxyethyl)but-2-enoate
InChI:
InChI=1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h4,6,9H,5H2,1-3H3
InChI Key:
FWXKZLQQWUMIQG-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C\C)/C(O)C
Properties
Complexity:
161
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:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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