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88083-52-7 | 3-Heptanol, 2-chloro-6-methoxy-3-methyl-
CAS No: 88083-52-7 Catalog No: AG004ER7 MDL No:
Product Description
Catalog Number:
AG004ER7
Chemical Name:
3-Heptanol, 2-chloro-6-methoxy-3-methyl-
CAS Number:
88083-52-7
Molecular Formula:
C9H19ClO2
Molecular Weight:
194.6990
IUPAC Name:
2-chloro-6-methoxy-3-methylheptan-3-ol
InChI:
InChI=1S/C9H19ClO2/c1-7(12-4)5-6-9(3,11)8(2)10/h7-8,11H,5-6H2,1-4H3
InChI Key:
ZQASFSDRKKNSHF-UHFFFAOYSA-N
SMILES:
COC(CCC(C(Cl)C)(O)C)C
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.107g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.699g/mol
Monoisotopic Mass:
194.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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