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88596-48-9 | 3-Pentyn-2-ol, 5,5-diethoxy-2-methyl-, acetate
CAS No: 88596-48-9 Catalog No: AG004CVM MDL No:
Product Description
Catalog Number:
AG004CVM
Chemical Name:
3-Pentyn-2-ol, 5,5-diethoxy-2-methyl-, acetate
CAS Number:
88596-48-9
Molecular Formula:
C12H22O5
Molecular Weight:
246.3001
IUPAC Name:
acetic acid;5,5-diethoxy-2-methylpent-3-yn-2-ol
InChI:
InChI=1S/C10H18O3.C2H4O2/c1-5-12-9(13-6-2)7-8-10(3,4)11;1-2(3)4/h9,11H,5-6H2,1-4H3;1H3,(H,3,4)
InChI Key:
ZHBIGQXGAZXKFJ-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCOC(C#CC(O)(C)C)OCC
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.303g/mol
Monoisotopic Mass:
246.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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