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71195-77-2 | Hexanoic acid,6-chloro-, 1-methylethyl ester
CAS No: 71195-77-2 Catalog No: AG005KCT MDL No:
Product Description
Catalog Number:
AG005KCT
Chemical Name:
Hexanoic acid,6-chloro-, 1-methylethyl ester
CAS Number:
71195-77-2
Molecular Formula:
C9H17ClO2
Molecular Weight:
192.6831
IUPAC Name:
propan-2-yl 6-chlorohexanoate
InChI:
InChI=1S/C9H17ClO2/c1-8(2)12-9(11)6-4-3-5-7-10/h8H,3-7H2,1-2H3
InChI Key:
MBBMZGJDDXCJMA-UHFFFAOYSA-N
SMILES:
ClCCCCCC(=O)OC(C)C
NSC Number:
84229
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.092g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.683g/mol
Monoisotopic Mass:
192.092g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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