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100537-09-5 | 2-Heptanol, 1,1-diethoxy-
CAS No: 100537-09-5 Catalog No: AG0002AK MDL No:
Product Description
Catalog Number:
AG0002AK
Chemical Name:
2-Heptanol, 1,1-diethoxy-
CAS Number:
100537-09-5
Molecular Formula:
C11H24O3
Molecular Weight:
204.3065
IUPAC Name:
1,1-diethoxyheptan-2-ol
InChI:
InChI=1S/C11H24O3/c1-4-7-8-9-10(12)11(13-5-2)14-6-3/h10-12H,4-9H2,1-3H3
InChI Key:
NDYRWJBNBCBXOY-UHFFFAOYSA-N
SMILES:
CCCCCC(C(OCC)OCC)O
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.173g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.31g/mol
Monoisotopic Mass:
204.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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