Cas no 71712-33-9 ( )
structure
Product Name:
CAS No:71712-33-9
MF:C17H16O3
MW:268.307145118713
CID:976683
PubChem ID:336366
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 5-methoxy-6-(1-phenylprop-2-enyl)-1,3-benzodioxole
- AC1L7JHJ
- NSC350132
- NSC-350132
- DTXSID20319767
- SCHEMBL11089475
- 5-Methoxy-6-(1-phenylprop-2-en-1-yl)-2H-1,3-benzodioxole
- 71712-33-9
-
-
- Inchi： 1S/C17H16O3/c1-3-13(12-7-5-4-6-8-12)14-9-16-17(20-11-19-16)10-15(14)18-2/h3-10,13H,1,11H2,2H3
- InChI Key： RZMZDKJSCCQYNY-UHFFFAOYSA-N
- SMILES： O1COC2=CC(=C(C=C12)C(C=C)C1C=CC=CC=1)OC
Computed Properties
- Exact Mass: 268.10998
- Monoisotopic Mass: 268.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 324
- 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: 4.2
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69
- LogP: 3.74180
Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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