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138667-73-9 | 2-Pentyn-1-ol, 5-(2-methyl-1,3-dioxolan-2-yl)-
CAS No: 138667-73-9 Catalog No: AG0018YS MDL No:
Product Description
Catalog Number:
AG0018YS
Chemical Name:
2-Pentyn-1-ol, 5-(2-methyl-1,3-dioxolan-2-yl)-
CAS Number:
138667-73-9
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
5-(2-methyl-1,3-dioxolan-2-yl)pent-2-yn-1-ol
InChI:
InChI=1S/C9H14O3/c1-9(11-7-8-12-9)5-3-2-4-6-10/h10H,3,5-8H2,1H3
InChI Key:
MFFCNCHOAWLNPN-UHFFFAOYSA-N
SMILES:
OCC#CCCC1(C)OCCO1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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