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14031-76-6 | Phenol, 4-ethynyl-2-methoxy-
CAS No: 14031-76-6 Catalog No: AG001C8Q MDL No:
Product Description
Catalog Number:
AG001C8Q
Chemical Name:
Phenol, 4-ethynyl-2-methoxy-
CAS Number:
14031-76-6
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
IUPAC Name:
4-ethynyl-2-methoxyphenol
InChI:
InChI=1S/C9H8O2/c1-3-7-4-5-8(10)9(6-7)11-2/h1,4-6,10H,2H3
InChI Key:
WMNRKIVJDZUMOE-UHFFFAOYSA-N
SMILES:
COc1cc(C#C)ccc1O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.052g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.161g/mol
Monoisotopic Mass:
148.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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