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138853-11-9 | 1,3-Dioxolane, 2-[4-(1,3-butadiyn-1-yl)phenyl]-
CAS No: 138853-11-9 Catalog No: AG0019PS MDL No:
Product Description
Catalog Number:
AG0019PS
Chemical Name:
1,3-Dioxolane, 2-[4-(1,3-butadiyn-1-yl)phenyl]-
CAS Number:
138853-11-9
Molecular Formula:
C13H10O2
Molecular Weight:
198.2173
IUPAC Name:
2-(4-buta-1,3-diynylphenyl)-1,3-dioxolane
InChI:
InChI=1S/C13H10O2/c1-2-3-4-11-5-7-12(8-6-11)13-14-9-10-15-13/h1,5-8,13H,9-10H2
InChI Key:
CTTUEGDRLJQKRX-UHFFFAOYSA-N
SMILES:
C#CC#Cc1ccc(cc1)C1OCCO1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.221g/mol
Monoisotopic Mass:
198.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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