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113434-67-6 | 2-Heptanol, 7,7-dimethoxy-
CAS No: 113434-67-6 Catalog No: AG0008L1 MDL No:
Product Description
Catalog Number:
AG0008L1
Chemical Name:
2-Heptanol, 7,7-dimethoxy-
CAS Number:
113434-67-6
Molecular Formula:
C9H20O3
Molecular Weight:
176.2533
IUPAC Name:
7,7-dimethoxyheptan-2-ol
InChI:
InChI=1S/C9H20O3/c1-8(10)6-4-5-7-9(11-2)12-3/h8-10H,4-7H2,1-3H3
InChI Key:
VMAJKJCLNKPXTO-UHFFFAOYSA-N
SMILES:
COC(CCCCC(O)C)OC
Properties
Complexity:
91.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.141g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.256g/mol
Monoisotopic Mass:
176.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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