Cas no 84455-47-0 ( )
structure
Product Name:
CAS No:84455-47-0
MF:C17H13NO2
MW:263.290624380112
CID:989378
PubChem ID:678554
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)prop-2-enenitrile
- alpha-(1,3-Benzodioxol-5-ylmethylene)-4-methylbenzeneacetonitrile
- VMS9RC7A8A
- 3,4-METHYLENEDIOXY-ALPHA-(PARA-TOLYL)-CINNAMONITRILE
- (alphaZ)-alpha-(1,3-Benzodioxol-5-ylmethylene)-4-methylbenzeneacetonitrile
- NSC201677
- 1081811-68-8
- MLS003107112
- NSC-201677
- HMS557D06
- (Z)-3-(1,3-benzodioxol-5-yl)-2-(p-tolyl)prop-2-enenitrile
- 3-Benzo[1,3]dioxol-5-yl-2-p-tolyl-acrylonitrile
- Acrylonitrile, 3-(3,4-methylenedioxyphenyl)-2-p-tolyl-
- Benzeneacetonitrile, alpha-(1,3-benzodioxol-5-ylmethylene)-4-methyl-, (alphaZ)-
- 3-(1,3-Benzodioxol-5-yl)-2-(4-methylphenyl)acrylonitrile
- CHEMBL4568484
- 84455-47-0
- NSC 201677
-
-
- Inchi: 1S/C17H13NO2/c1-12-2-5-14(6-3-12)15(10-18)8-13-4-7-16-17(9-13)20-11-19-16/h2-9H,11H2,1H3/b15-8+
- InChI Key: RNXQHCQDESYTIQ-OVCLIPMQSA-N
- SMILES: O1COC2C=CC(/C=C(\C#N)/C3C=CC(C)=CC=3)=CC1=2
Computed Properties
- Exact Mass: 263.094628657g/mol
- Monoisotopic Mass: 263.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 414
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 42.2?2
Related Literature
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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