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1776-12-1 | Benzenemethanol, α-ethynyl-2-methoxy-
CAS No: 1776-12-1 Catalog No: AG0025F3 MDL No:MFCD09032691
Product Description
Catalog Number:
AG0025F3
Chemical Name:
Benzenemethanol, α-ethynyl-2-methoxy-
CAS Number:
1776-12-1
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD09032691
IUPAC Name:
1-(2-methoxyphenyl)prop-2-yn-1-ol
InChI:
InChI=1S/C10H10O2/c1-3-9(11)8-6-4-5-7-10(8)12-2/h1,4-7,9,11H,2H3
InChI Key:
UFLVEYLWUZQMQS-UHFFFAOYSA-N
SMILES:
C#CC(c1ccccc1OC)O
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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