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29568-62-5 | 1,3-Dioxolane, 2-ethynyl-2-phenyl-
CAS No: 29568-62-5 Catalog No: AG002YRX MDL No:
Product Description
Catalog Number:
AG002YRX
Chemical Name:
1,3-Dioxolane, 2-ethynyl-2-phenyl-
CAS Number:
29568-62-5
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
IUPAC Name:
2-ethynyl-2-phenyl-1,3-dioxolane
InChI:
InChI=1S/C11H10O2/c1-2-11(12-8-9-13-11)10-6-4-3-5-7-10/h1,3-7H,8-9H2
InChI Key:
IGYYDOCVDNIUGI-UHFFFAOYSA-N
SMILES:
C#CC1(OCCO1)c1ccccc1
NSC Number:
142322
Properties
Complexity:
214
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:
1.4
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