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87887-37-4 | 9-Undecen-2-one, 3-chloro-10-methyl-6-methylene-
CAS No: 87887-37-4 Catalog No: AG004IJP MDL No:
Product Description
Catalog Number:
AG004IJP
Chemical Name:
9-Undecen-2-one, 3-chloro-10-methyl-6-methylene-
CAS Number:
87887-37-4
Molecular Formula:
C13H21ClO
Molecular Weight:
228.7582
IUPAC Name:
3-chloro-10-methyl-6-methylideneundec-9-en-2-one
InChI:
InChI=1S/C13H21ClO/c1-10(2)6-5-7-11(3)8-9-13(14)12(4)15/h6,13H,3,5,7-9H2,1-2,4H3
InChI Key:
AGJPIGQQJABTSE-UHFFFAOYSA-N
SMILES:
C=C(CCC(C(=O)C)Cl)CCC=C(C)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.128g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.76g/mol
Monoisotopic Mass:
228.128g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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