Cas no 61402-90-2 (2H-1-Benzopyran-5,7-diol, 3,4-dihydro-2-(4-hydroxyphenyl)-, (S)-)
61402-90-2 structure
Product Name:2H-1-Benzopyran-5,7-diol, 3,4-dihydro-2-(4-hydroxyphenyl)-, (S)-
CAS No:61402-90-2
MF:C15H14O4
MW:258.269264698029
CID:480727
PubChem ID:44257189
Update Time:2025-04-19
2H-1-Benzopyran-5,7-diol, 3,4-dihydro-2-(4-hydroxyphenyl)-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-5,7-diol, 3,4-dihydro-2-(4-hydroxyphenyl)-, (S)-
- SCHEMBL14386917
- 61402-90-2
- LMPK12020262
- Apigeniflavan
- (2S)-2-(4-Hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-5,7-diol
- DTXSID00658060
- CHEBI:186643
- (2S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
-
- Inchi： 1S/C15H14O4/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14/h1-4,7-8,14,16-18H,5-6H2/t14-/m0/s1
- InChI Key： MDDPZOZWEZNMTK-AWEZNQCLSA-N
- SMILES： O1C2C=C(C=C(C=2CC[C@H]1C1C=CC(=CC=1)O)O)O
Computed Properties
- Exact Mass: 258.08922
- Monoisotopic Mass: 258.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 301
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 69.9A^2
- XLogP3: 2.7
Experimental Properties
- PSA: 69.92
2H-1-Benzopyran-5,7-diol, 3,4-dihydro-2-(4-hydroxyphenyl)-, (S)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Flavonoids 7-hydroxyflavonoids
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Flavonoids Hydroxyflavonoids 7-hydroxyflavonoids
- Natural Products and Extracts Plant Extracts Plant based Faramea guianensis
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