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88083-43-6 | 2-Heptanol, 6-ethoxy-3-methyl-
CAS No: 88083-43-6 Catalog No: AG004ER9 MDL No:
Product Description
Catalog Number:
AG004ER9
Chemical Name:
2-Heptanol, 6-ethoxy-3-methyl-
CAS Number:
88083-43-6
Molecular Formula:
C10H22O2
Molecular Weight:
174.2805
IUPAC Name:
6-ethoxy-3-methylheptan-2-ol
InChI:
InChI=1S/C10H22O2/c1-5-12-9(3)7-6-8(2)10(4)11/h8-11H,5-7H2,1-4H3
InChI Key:
VXQGSYFKTVZCGZ-UHFFFAOYSA-N
SMILES:
CCOC(CCC(C(O)C)C)C
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.162g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.284g/mol
Monoisotopic Mass:
174.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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