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24525-25-5 | Tridecanoic acid, 13-chloro-13-oxo-, methyl ester
CAS No: 24525-25-5 Catalog No: AG002OFH MDL No:
Product Description
Catalog Number:
AG002OFH
Chemical Name:
Tridecanoic acid, 13-chloro-13-oxo-, methyl ester
CAS Number:
24525-25-5
Molecular Formula:
C14H25ClO3
Molecular Weight:
276.7995
IUPAC Name:
methyl 13-chloro-13-oxotridecanoate
InChI:
InChI=1S/C14H25ClO3/c1-18-14(17)12-10-8-6-4-2-3-5-7-9-11-13(15)16/h2-12H2,1H3
InChI Key:
QTWLNKKJFRBASQ-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCCCC(=O)Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.149g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.801g/mol
Monoisotopic Mass:
276.149g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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