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6142-95-6 | (3,3-Diethoxyprop-1-yn-1-yl);benzene
CAS No: 6142-95-6 Catalog No: AG003TQ1 MDL No:MFCD00009238
Product Description
Catalog Number:
AG003TQ1
Chemical Name:
(3,3-Diethoxyprop-1-yn-1-yl);benzene
CAS Number:
6142-95-6
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD00009238
IUPAC Name:
3,3-diethoxyprop-1-ynylbenzene
InChI:
InChI=1S/C13H16O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4H2,1-2H3
InChI Key:
DTEGZYXCDQFSBZ-UHFFFAOYSA-N
SMILES:
CCOC(C#Cc1ccccc1)OCC
EC Number:
228-143-6
NSC Number:
66194
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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