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138853-09-5 | 1,3-Dioxolane, 2-(4-ethynylphenyl)-
CAS No: 138853-09-5 Catalog No: AG0019PT MDL No:
Product Description
Catalog Number:
AG0019PT
Chemical Name:
1,3-Dioxolane, 2-(4-ethynylphenyl)-
CAS Number:
138853-09-5
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
IUPAC Name:
2-(4-ethynylphenyl)-1,3-dioxolane
InChI:
InChI=1S/C11H10O2/c1-2-9-3-5-10(6-4-9)11-12-7-8-13-11/h1,3-6,11H,7-8H2
InChI Key:
IMBXCYXDOGCLNO-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)C1OCCO1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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