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119105-74-7 | Dodecanoic acid, 11-chloro-
CAS No: 119105-74-7 Catalog No: AG000I87 MDL No:
Product Description
Catalog Number:
AG000I87
Chemical Name:
Dodecanoic acid, 11-chloro-
CAS Number:
119105-74-7
Molecular Formula:
C12H23ClO2
Molecular Weight:
234.7628
IUPAC Name:
11-chlorododecanoic acid
InChI:
InChI=1S/C12H23ClO2/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h11H,2-10H2,1H3,(H,14,15)
InChI Key:
WSJSRTKETCZHHK-UHFFFAOYSA-N
SMILES:
CC(CCCCCCCCCC(=O)O)Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.139g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.764g/mol
Monoisotopic Mass:
234.139g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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