Cas no 102624-59-9 (1-(3-chloro-2,6-dihydroxy-5-propylphenyl)ethanone)
102624-59-9 structure
Product Name:1-(3-chloro-2,6-dihydroxy-5-propylphenyl)ethanone
CAS No:102624-59-9
MF:C11H13ClO3
MW:228.672122716904
CID:1134286
PubChem ID:14570883
Update Time:2025-04-20
1-(3-chloro-2,6-dihydroxy-5-propylphenyl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-chloro-2,6-dihydroxy-5-propylphenyl)ethanone
- AGN-PC-001U8Y
- 2,6-dihydroxy-3-propyl-5-chloro-acetophenone
- ACMC-20m5ls
- Ethanone, 1-(3-chloro-2,6-dihydroxy-5-propylphenyl)-
- 3-chloro-2,6-dihydroxy-5-propylacetophenone
- CTK0G7521
- 2,6-dihydroxy-3-propyl-5-chloroacetophenone
- DTXSID80561785
- 1-(3-Chloro-2,6-dihydroxy-5-propylphenyl)ethan-1-one
- 102624-59-9
- DA-20101
- SCHEMBL9739521
-
- Inchi： 1S/C11H13ClO3/c1-3-4-7-5-8(12)11(15)9(6(2)13)10(7)14/h5,14-15H,3-4H2,1-2H3
- InChI Key： FVJDDYSKNLYJKB-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C(C)=O)C(=C(C=1)CCC)O)O
Computed Properties
- Exact Mass: 228.055322g/mol
- Monoisotopic Mass: 228.055322g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 232
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 228.67g/mol
- XLogP3: 3.4
- Topological Polar Surface Area: 57.5?2
1-(3-chloro-2,6-dihydroxy-5-propylphenyl)ethanone Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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