Cas no 16051-38-0 (3.4-Dihydro-6.8-dihydroxy-3.4.5-trimethyl-isocumarin-7-carbonsaeure)
16051-38-0 structure
Product Name:3.4-Dihydro-6.8-dihydroxy-3.4.5-trimethyl-isocumarin-7-carbonsaeure
CAS No:16051-38-0
MF:C13H14O6
MW:266.246664524078
CID:2051884
PubChem ID:15558919
Update Time:2025-04-21
3.4-Dihydro-6.8-dihydroxy-3.4.5-trimethyl-isocumarin-7-carbonsaeure Chemical and Physical Properties
Names and Identifiers
-
- 3.4-Dihydro-6.8-dihydroxy-3.4.5-trimethyl-isocumarin-7-carbonsaeure
- 6,8-dihydroxy-3,4,5-trimethyl-1-oxo-isochroman-7-carboxylic acid
- Dihydrocitrinone
- 6,8-Dihydroxy-3,4,5-trimethyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid
- 3,4-Dihydro-6,8-dihydroxy-3,4,5-trimethyl-1-oxo-1H-2-benzopyran-7-carboxylic acid
- 16051-38-0
- DTXSID001132212
- NS00067043
- 3,4-dihydro-6,8-dihydroxy-3,4,5-trimethyl-isocoumarin-7-carboxylic acid
-
- Inchi： 1S/C13H14O6/c1-4-6(3)19-13(18)8-7(4)5(2)10(14)9(11(8)15)12(16)17/h4,6,14-15H,1-3H3,(H,16,17)
- InChI Key： VVVMDYGNIVXIIG-UHFFFAOYSA-N
- SMILES： O1C(C2C(=C(C(=O)O)C(=C(C)C=2C(C)C1C)O)O)=O
Computed Properties
- Exact Mass: 266.07903816g/mol
- Monoisotopic Mass: 266.07903816g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 395
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 104?2
3.4-Dihydro-6.8-dihydroxy-3.4.5-trimethyl-isocumarin-7-carbonsaeure Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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