Cas no 30861-68-8 (Benzoic acid, 3-(4-hydroxy-3-methylbenzoyl)-)
30861-68-8 structure
Product Name:Benzoic acid, 3-(4-hydroxy-3-methylbenzoyl)-
CAS No:30861-68-8
MF:C15H12O4
MW:256.253384590149
CID:293051
PubChem ID:20536033
Update Time:2025-04-19
Benzoic acid, 3-(4-hydroxy-3-methylbenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-(4-hydroxy-3-methylbenzoyl)-
- 3-(4-hydroxy-3-methylbenzoyl)benzoic acid
- DTXSID00608464
- 30861-68-8
- SCHEMBL9752049
-
- Inchi： 1S/C15H12O4/c1-9-7-11(5-6-13(9)16)14(17)10-3-2-4-12(8-10)15(18)19/h2-8,16H,1H3,(H,18,19)
- InChI Key： BXJDLYZNCBIEFV-UHFFFAOYSA-N
- SMILES： OC1=CC=C(C=C1C)C(C1C=CC=C(C(=O)O)C=1)=O
Computed Properties
- Exact Mass: 256.07356
- Monoisotopic Mass: 256.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 352
- 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
- XLogP3: 2.8
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Benzoic acid, 3-(4-hydroxy-3-methylbenzoyl)- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
30861-68-8 (Benzoic acid, 3-(4-hydroxy-3-methylbenzoyl)-) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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