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88226-93-1 | 4-Pentenoic acid, 2-(1-methylethenyl)-
CAS No: 88226-93-1 Catalog No: AG004BF1 MDL No:
Product Description
Catalog Number:
AG004BF1
Chemical Name:
4-Pentenoic acid, 2-(1-methylethenyl)-
CAS Number:
88226-93-1
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
2-prop-1-en-2-ylpent-4-enoic acid
InChI:
InChI=1S/C8H12O2/c1-4-5-7(6(2)3)8(9)10/h4,7H,1-2,5H2,3H3,(H,9,10)
InChI Key:
VEUPTSONTQEDDN-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)O)C(=C)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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