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88159-02-8 | 3-Octyn-1-ol, 8,8,8-trimethoxy-
CAS No: 88159-02-8 Catalog No: AG004E5U MDL No:
Product Description
Catalog Number:
AG004E5U
Chemical Name:
3-Octyn-1-ol, 8,8,8-trimethoxy-
CAS Number:
88159-02-8
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
IUPAC Name:
8,8,8-trimethoxyoct-3-yn-1-ol
InChI:
InChI=1S/C11H20O4/c1-13-11(14-2,15-3)9-7-5-4-6-8-10-12/h12H,5,7-10H2,1-3H3
InChI Key:
VINBJWNLOLVNDI-UHFFFAOYSA-N
SMILES:
OCCC#CCCCC(OC)(OC)OC
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.277g/mol
Monoisotopic Mass:
216.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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