Cas no 80317-98-2 (Escarol)
Escarol structure
Product Name:Escarol
CAS No:80317-98-2
MF:C23H30O5
MW:386.481307506561
CID:985446
PubChem ID:6439566
Update Time:2024-03-01
Escarol Chemical and Physical Properties
Names and Identifiers
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- Escarol
- 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene,1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
- Benzene, 1,2-dimethoxy-4-(1-propenyl)-, (E)-, mixt. with (E)-1,2,4-trimethoxy-5-(1-propenyl)benzene
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- Inchi： 1S/C12H16O3.C11H14O2/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2;1-4-5-9-6-7-10(12-2)11(8-9)13-3/h5-8H,1-4H3;4-8H,1-3H3/b6-5+;5-4+
- InChI Key： VUHMIPWBDMGTNL-MHCZMQLOSA-N
- SMILES： O(C)C1C=C(C(=CC=1/C=C/C)OC)OC.O(C)C1C=C(/C=C/C)C=CC=1OC
Computed Properties
- Exact Mass: 386.20932405g/mol
- Monoisotopic Mass: 386.20932405g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 7
- Complexity: 369
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 46.2
Escarol Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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