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131505-85-6 | Benzene, 1-ethynyl-4-(trimethoxymethyl)-
CAS No: 131505-85-6 Catalog No: AG000ZAD MDL No:
Product Description
Catalog Number:
AG000ZAD
Chemical Name:
Benzene, 1-ethynyl-4-(trimethoxymethyl)-
CAS Number:
131505-85-6
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
1-ethynyl-4-(trimethoxymethyl)benzene
InChI:
InChI=1S/C12H14O3/c1-5-10-6-8-11(9-7-10)12(13-2,14-3)15-4/h1,6-9H,2-4H3
InChI Key:
ZEENQNCOKOOISM-UHFFFAOYSA-N
SMILES:
COC(c1ccc(cc1)C#C)(OC)OC
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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