CAS
938443-19-7 Purity
96%
938443-19-7 Purity
96%
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1-Propanone,1-(2-hydroxy-5-methylphenyl)-
CAS
938-45-4
Catalog Number
ACM938454
Category
Other Products
Molecular Weight
164.20108
Molecular Formula
C10H12O2
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Specification
Synonyms
Enamine_005369, 663719_ALDRICH, 2-Hydroxy-5-methylpropiophenone, AKL-PFB-019507, MolPort-000-156-353, ZINC01845490, HMS1409E01, CID70311, EINECS 213-342-2, Propiophenone, 2-hydroxy-5-methyl-, 1-Propanone, 1-(2-hydroxy-5-methylphenyl)-, 938-45-4
IUPAC Name
1-(2-hydroxy-5-methylphenyl)propan-1-one
Canonical SMILES
CCC(=O)C1=C(C=CC(=C1)C)O
InChI Key
CXZJBPYDVCLMFX-UHFFFAOYSA-N
Boiling Point
260.4ºC at 760mmHg
Flash Point
108ºC
Density
1.079g/cm³
EC Number
213-342-2
Exact Mass
164.08400
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C10H12O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 164.20 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-(2-hydroxy-5-methylphenyl)propan-1-one.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C10H12O2/c1-3-9(11)8-6-7(2)4-5-10(8)12/h4-6,12H,3H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is CXZJBPYDVCLMFX-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCC(=O)C1=C(C=CC(=C1)C)O.
What is the CAS number of the compound?
The CAS number of the compound is 938-45-4.
What is the EC number of the compound?
The EC number of the compound is 213-342-2.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 2.9.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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