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82967-76-8 | 2-Pentenoic acid, 3-methoxy-, ethyl ester
CAS No: 82967-76-8 Catalog No: AG005EH7 MDL No:
Product Description
Catalog Number:
AG005EH7
Chemical Name:
2-Pentenoic acid, 3-methoxy-, ethyl ester
CAS Number:
82967-76-8
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
ethyl 3-methoxypent-2-enoate
InChI:
InChI=1S/C8H14O3/c1-4-7(10-3)6-8(9)11-5-2/h6H,4-5H2,1-3H3
InChI Key:
LPJVQUPDHTWUIO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(OC)CC
Properties
Complexity:
149
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:
0
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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