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99805-29-5 | 2-[(4,4-DIETHOXY-2-BUTYN-1-YL)OXY]TETRAHYDROPYRAN
CAS No: 99805-29-5 Catalog No: AG003G7W MDL No:MFCD23381110
Product Description
Catalog Number:
AG003G7W
Chemical Name:
2-[(4,4-DIETHOXY-2-BUTYN-1-YL)OXY]TETRAHYDROPYRAN
CAS Number:
99805-29-5
Molecular Formula:
C13H22O4
Molecular Weight:
242.3114
MDL Number:
MFCD23381110
IUPAC Name:
2-(4,4-diethoxybut-2-ynoxy)oxane
InChI:
InChI=1S/C13H22O4/c1-3-14-12(15-4-2)9-7-11-17-13-8-5-6-10-16-13/h12-13H,3-6,8,10-11H2,1-2H3
InChI Key:
JUQGLOFZQZNAJR-UHFFFAOYSA-N
SMILES:
CCOC(C#CCOC1CCCCO1)OCC
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.315g/mol
Monoisotopic Mass:
242.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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