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276884-28-7 | Benzenemethanol, α-ethynyl-4-hydroxy-
CAS No: 276884-28-7 Catalog No: AG002UGA MDL No:
Product Description
Catalog Number:
AG002UGA
Chemical Name:
Benzenemethanol, α-ethynyl-4-hydroxy-
CAS Number:
276884-28-7
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
IUPAC Name:
4-(1-hydroxyprop-2-ynyl)phenol
InChI:
InChI=1S/C9H8O2/c1-2-9(11)7-3-5-8(10)6-4-7/h1,3-6,9-11H
InChI Key:
IQGRDOOZCQXVIC-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)O)C#C
Properties
Complexity:
160
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:
2
Isotope Atom Count:
0
Molecular Weight:
148.161g/mol
Monoisotopic Mass:
148.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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