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33414-49-2 | 1-(3-Hydroxy-4-methylphenyl)ethanone
CAS No: 33414-49-2 Catalog No: AG0038ST MDL No:MFCD06658171
Product Description
Catalog Number:
AG0038ST
Chemical Name:
1-(3-Hydroxy-4-methylphenyl)ethanone
CAS Number:
33414-49-2
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
MDL Number:
MFCD06658171
IUPAC Name:
1-(3-hydroxy-4-methylphenyl)ethanone
InChI:
InChI=1S/C9H10O2/c1-6-3-4-8(7(2)10)5-9(6)11/h3-5,11H,1-2H3
InChI Key:
MFJCFSDSJMSMQK-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1)O)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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