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79994-88-0 | 4-Pentenoic acid, 5,5-dichloro-3-methyl-2-(1-methylethyl)-
CAS No: 79994-88-0 Catalog No: AG004YZY MDL No:
Product Description
Catalog Number:
AG004YZY
Chemical Name:
4-Pentenoic acid, 5,5-dichloro-3-methyl-2-(1-methylethyl)-
CAS Number:
79994-88-0
Molecular Formula:
C9H14Cl2O2
Molecular Weight:
225.1123
IUPAC Name:
5,5-dichloro-3-methyl-2-propan-2-ylpent-4-enoic acid
InChI:
InChI=1S/C9H14Cl2O2/c1-5(2)8(9(12)13)6(3)4-7(10)11/h4-6,8H,1-3H3,(H,12,13)
InChI Key:
QZMKXBQHVBRDKP-UHFFFAOYSA-N
SMILES:
ClC(=CC(C(C(=O)O)C(C)C)C)Cl
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.037g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.109g/mol
Monoisotopic Mass:
224.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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