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88104-30-7 | Propanoic acid, 2-chloro-, undecyl ester
CAS No: 88104-30-7 Catalog No: AG004EAA MDL No:
Product Description
Catalog Number:
AG004EAA
Chemical Name:
Propanoic acid, 2-chloro-, undecyl ester
CAS Number:
88104-30-7
Molecular Formula:
C14H27ClO2
Molecular Weight:
262.8160
IUPAC Name:
undecyl 2-chloropropanoate
InChI:
InChI=1S/C14H27ClO2/c1-3-4-5-6-7-8-9-10-11-12-17-14(16)13(2)15/h13H,3-12H2,1-2H3
InChI Key:
WYHSVCIJFGERBN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCOC(=O)C(Cl)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.17g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.818g/mol
Monoisotopic Mass:
262.17g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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