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114233-75-9 | Benzene, 4-methyl-1,2-bis(2-propyn-1-yloxy)-
CAS No: 114233-75-9 Catalog No: AG000AW0 MDL No:
Product Description
Catalog Number:
AG000AW0
Chemical Name:
Benzene, 4-methyl-1,2-bis(2-propyn-1-yloxy)-
CAS Number:
114233-75-9
Molecular Formula:
C13H12O2
Molecular Weight:
200.2332
IUPAC Name:
4-methyl-1,2-bis(prop-2-ynoxy)benzene
InChI:
InChI=1S/C13H12O2/c1-4-8-14-12-7-6-11(3)10-13(12)15-9-5-2/h1-2,6-7,10H,8-9H2,3H3
InChI Key:
DZKTZVDOODTAPL-UHFFFAOYSA-N
SMILES:
C#CCOc1cc(C)ccc1OCC#C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.237g/mol
Monoisotopic Mass:
200.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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