Cas no 90866-43-6 (methyl (1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylate)
![methyl (1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylate structure](https://ossimg.kuujia.com/scimg/91000/90866-43-6x500.png)
90866-43-6 structure
Product Name:methyl (1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylate
CAS No:90866-43-6
MF:C8H10O4
MW:170.162602901459
CID:995172
PubChem ID:339336
Update Time:2025-04-20
methyl (1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl (1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylate
- 90866-43-6
- 2-Chlorotetrafluoropropanoylfluoride
- SHIKIMIC ACID,4, ANHYDRO-, METHYL ESTER
- NSC365447
- DTXSID80320854
- CHEBI:208108
- 78844-86-7
- AKOS006314746
- NSC-365447
- (+)-3,4-Anhydroshikimic acid methyl este
- DB-309225
- REL-(1R,5R,6S)-3-METHOXYCARBONYL-7-OXABICYCLO[4.1.0]-HEPT-2-EN-5-OL
- rel-(1R,5R,6S)-3-Methoxycarbonyl-7- oxabicyclo[4.1.0]-hept-2-en-5-ol
-
- Inchi： 1S/C8H10O4/c1-11-8(10)4-2-5(9)7-6(3-4)12-7/h3,5-7,9H,2H2,1H3/t5-,6-,7+/m1/s1
- InChI Key： LHPOIQVOXOVXFQ-QYNIQEEDSA-N
- SMILES： O1[C@@H]2C=C(C(=O)OC)C[C@H]([C@H]12)O
Computed Properties
- Exact Mass: 170.058
- Monoisotopic Mass: 170.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 245
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 59.1?2
Experimental Properties
- Density: 1.393g/cm3
- Boiling Point: 300.8oC at 760 mmHg
- Flash Point: 125.2oC
- Refractive Index: 1.559
- PSA: 59.06000
- LogP: -0.38220
methyl (1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylate Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
90866-43-6 (methyl (1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylate) Related Products
- 494195-98-1((1S,5S,6R)-5-(Acetyloxy)-7-oxabicyclo4.1.0hept-2-ene-3-carboxylic Acid Methyl Ester)
- 171596-14-8((1R,5S,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid)
- 1266663-89-1((1R,5R,6R)-5-(1-Ethylpropoxy)-7-oxabicyclo4.1.0hept-3-ene-3-carboxylic Acid Ethyl Ester)
- 1217834-81-5((1R,5R,6R)-rel-5-(1-Ethylpropoxy)-7-oxabicyclo4.1.0hept-3-ene-3-carboxylic Acid Ethyl Ester)
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