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88083-44-7 | 2,3-Heptanediol, 6-ethoxy-
CAS No: 88083-44-7 Catalog No: AG004HNP MDL No:
Product Description
Catalog Number:
AG004HNP
Chemical Name:
2,3-Heptanediol, 6-ethoxy-
CAS Number:
88083-44-7
Molecular Formula:
C9H20O3
Molecular Weight:
176.2533
IUPAC Name:
6-ethoxyheptane-2,3-diol
InChI:
InChI=1S/C9H20O3/c1-4-12-7(2)5-6-9(11)8(3)10/h7-11H,4-6H2,1-3H3
InChI Key:
BHJRHZZPAPQMCZ-UHFFFAOYSA-N
SMILES:
CCOC(CCC(C(O)C)O)C
Properties
Complexity:
106
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:
2
Isotope Atom Count:
0
Molecular Weight:
176.256g/mol
Monoisotopic Mass:
176.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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