Cas no 61833-23-6 (2-Propenenitrile, 3-(1,3-benzodioxol-5-yl)-)
61833-23-6 structure
Product Name:2-Propenenitrile, 3-(1,3-benzodioxol-5-yl)-
CAS No:61833-23-6
MF:C10H7NO2
MW:173.168082475662
CID:465072
PubChem ID:599092
Update Time:2025-04-19
2-Propenenitrile, 3-(1,3-benzodioxol-5-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenenitrile, 3-(1,3-benzodioxol-5-yl)-
- 3-(1,3-benzodioxol-5-yl)prop-2-enenitrile
- DTXSID10344740
- GQUDHNZWHXCPSA-UHFFFAOYSA-N
- 61833-23-6
- 3-Benzo[1,3]dioxol-5-yl-acrylonitrile
- AKOS017269563
-
- Inchi： 1S/C10H7NO2/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1-4,6H,7H2
- InChI Key： GQUDHNZWHXCPSA-UHFFFAOYSA-N
- SMILES： O1COC2C=CC(C=CC#N)=CC1=2
Computed Properties
- Exact Mass: 173.04771
- Monoisotopic Mass: 173.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 253
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.2
- Topological Polar Surface Area: 42.2?2
Experimental Properties
- PSA: 42.25
2-Propenenitrile, 3-(1,3-benzodioxol-5-yl)- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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4. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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