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30353-79-8 | 2,4-Hexadiyn-1-ol, 6,6-diethoxy-
CAS No: 30353-79-8 Catalog No: AG002ZTI MDL No:
Product Description
Catalog Number:
AG002ZTI
Chemical Name:
2,4-Hexadiyn-1-ol, 6,6-diethoxy-
CAS Number:
30353-79-8
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
6,6-diethoxyhexa-2,4-diyn-1-ol
InChI:
InChI=1S/C10H14O3/c1-3-12-10(13-4-2)8-6-5-7-9-11/h10-11H,3-4,9H2,1-2H3
InChI Key:
ZVNMQBBJSHSFJA-UHFFFAOYSA-N
SMILES:
CCOC(C#CC#CCO)OCC
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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