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14925-60-1 | Hexanoic acid, 2-chloro-, methyl ester
CAS No: 14925-60-1 Catalog No: AG001LJ0 MDL No:
Product Description
Catalog Number:
AG001LJ0
Chemical Name:
Hexanoic acid, 2-chloro-, methyl ester
CAS Number:
14925-60-1
Molecular Formula:
C7H13ClO2
Molecular Weight:
164.6299
IUPAC Name:
methyl 2-chlorohexanoate
InChI:
InChI=1S/C7H13ClO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3
InChI Key:
ZKEGALQDZGNQIK-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)OC)Cl
EC Number:
238-996-6
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.06g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.629g/mol
Monoisotopic Mass:
164.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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