Cas no 22360-47-0 (3H-2-Benzopyran-3-one,1,4-dihydro-1-phenyl-)
22360-47-0 structure
Product Name:3H-2-Benzopyran-3-one,1,4-dihydro-1-phenyl-
CAS No:22360-47-0
MF:C15H12O2
MW:224.254584312439
CID:265357
PubChem ID:211126
Update Time:2025-04-19
3H-2-Benzopyran-3-one,1,4-dihydro-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3H-2-Benzopyran-3-one,1,4-dihydro-1-phenyl-
- 1-phenyl-1,4-dihydroisochromen-3-one
- SCHEMBL9731911
- DTXSID10945014
- 1-phenyl-1,4-dihydro-3h-isochroman-3-one
- 1,4-Dihydro-1-phenyl-3H-2-benzopyran-3-one
- 1-Phenyl-1,4-dihydro-3H-2-benzopyran-3-one
- 3H-2-Benzopyran-3-one, 1,4-dihydro-1-phenyl-
- BRN 1345942
- 1-Phenyl-3-isochromanone
- 5-17-10-00487 (Beilstein Handbook Reference)
- 22360-47-0
-
- Inchi： 1S/C15H12O2/c16-14-10-12-8-4-5-9-13(12)15(17-14)11-6-2-1-3-7-11/h1-9,15H,10H2
- InChI Key： PIXDKMMAYYXXGM-UHFFFAOYSA-N
- SMILES： O1C(CC2C=CC=CC=2C1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 224.08376
- Monoisotopic Mass: 224.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 281
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
3H-2-Benzopyran-3-one,1,4-dihydro-1-phenyl- Related Literature
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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