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88329-66-2 | 3-Pentyn-2-ol, 5,5,5-triethoxy-2-methyl-
CAS No: 88329-66-2 Catalog No: AG0047CF MDL No:
Product Description
Catalog Number:
AG0047CF
Chemical Name:
3-Pentyn-2-ol, 5,5,5-triethoxy-2-methyl-
CAS Number:
88329-66-2
Molecular Formula:
C12H22O4
Molecular Weight:
230.3007
IUPAC Name:
5,5,5-triethoxy-2-methylpent-3-yn-2-ol
InChI:
InChI=1S/C12H22O4/c1-6-14-12(15-7-2,16-8-3)10-9-11(4,5)13/h13H,6-8H2,1-5H3
InChI Key:
FNXVIMRUGWNDSD-UHFFFAOYSA-N
SMILES:
CCOC(C#CC(O)(C)C)(OCC)OCC
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.304g/mol
Monoisotopic Mass:
230.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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