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87953-21-7 | 4-Pentenoic acid, 5,5-dichloro-3-ethyl-2-(1-methylethyl)-
CAS No: 87953-21-7 Catalog No: AG004D4S MDL No:
Product Description
Catalog Number:
AG004D4S
Chemical Name:
4-Pentenoic acid, 5,5-dichloro-3-ethyl-2-(1-methylethyl)-
CAS Number:
87953-21-7
Molecular Formula:
C10H16Cl2O2
Molecular Weight:
239.1388
IUPAC Name:
5,5-dichloro-3-ethyl-2-propan-2-ylpent-4-enoic acid
InChI:
InChI=1S/C10H16Cl2O2/c1-4-7(5-8(11)12)9(6(2)3)10(13)14/h5-7,9H,4H2,1-3H3,(H,13,14)
InChI Key:
TWNXJDJFKIJLHI-UHFFFAOYSA-N
SMILES:
CCC(C(C(=O)O)C(C)C)C=C(Cl)Cl
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.136g/mol
Monoisotopic Mass:
238.053g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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