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87953-22-8 | 4-Pentenoic acid, 5,5-dichloro-3,3-dimethyl-2-(1-methylethyl)-
CAS No: 87953-22-8 Catalog No: AG004GAA MDL No:
Product Description
Catalog Number:
AG004GAA
Chemical Name:
4-Pentenoic acid, 5,5-dichloro-3,3-dimethyl-2-(1-methylethyl)-
CAS Number:
87953-22-8
Molecular Formula:
C10H16Cl2O2
Molecular Weight:
239.1388
IUPAC Name:
5,5-dichloro-3,3-dimethyl-2-propan-2-ylpent-4-enoic acid
InChI:
InChI=1S/C10H16Cl2O2/c1-6(2)8(9(13)14)10(3,4)5-7(11)12/h5-6,8H,1-4H3,(H,13,14)
InChI Key:
AFRRVUNNCIAYOY-UHFFFAOYSA-N
SMILES:
ClC(=CC(C(C(=O)O)C(C)C)(C)C)Cl
Properties
Complexity:
241
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:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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