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87887-36-3 | 5-Hexenoic acid, 2-acetyl-2-chloro-5-methyl-, methyl ester
CAS No: 87887-36-3 Catalog No: AG004IJQ MDL No:
Product Description
Catalog Number:
AG004IJQ
Chemical Name:
5-Hexenoic acid, 2-acetyl-2-chloro-5-methyl-, methyl ester
CAS Number:
87887-36-3
Molecular Formula:
C10H15ClO3
Molecular Weight:
218.6773
IUPAC Name:
methyl 2-acetyl-2-chloro-5-methylhex-5-enoate
InChI:
InChI=1S/C10H15ClO3/c1-7(2)5-6-10(11,8(3)12)9(13)14-4/h1,5-6H2,2-4H3
InChI Key:
GOXVQLIEZHYRHL-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)C)(CCC(=C)C)Cl
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.677g/mol
Monoisotopic Mass:
218.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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