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1159511-93-9 | Benzene, 1,2-diethoxy-4-ethynyl-
CAS No: 1159511-93-9 Catalog No: AG000H77 MDL No:MFCD11869744
Product Description
Catalog Number:
AG000H77
Chemical Name:
Benzene, 1,2-diethoxy-4-ethynyl-
CAS Number:
1159511-93-9
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD11869744
IUPAC Name:
1,2-diethoxy-4-ethynylbenzene
InChI:
InChI=1S/C12H14O2/c1-4-10-7-8-11(13-5-2)12(9-10)14-6-3/h1,7-9H,5-6H2,2-3H3
InChI Key:
XFLXRFSUHXIIKO-UHFFFAOYSA-N
SMILES:
CCOc1cc(C#C)ccc1OCC
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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