Cas no 35981-67-0 (Benzeneacetonitrile,4-(cyclopropylcarbonyl)-)
35981-67-0 structure
Product Name:Benzeneacetonitrile,4-(cyclopropylcarbonyl)-
CAS No:35981-67-0
MF:C12H11NO
MW:185.221843004227
CID:296027
PubChem ID:15512831
Update Time:2025-04-19
Benzeneacetonitrile,4-(cyclopropylcarbonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile,4-(cyclopropylcarbonyl)-
- [p-(CyclopropylcarbonyI)phenyl]acetonitrile
- (4-cyclopentyl-[1]naphthyl)-acetic acid
- (4-Cyclopentyl-[1]naphthyl)-essigsaeure
- (4-cyclopropanecarbonyl-phenyl)-acetonitrile
- (4-Cyclopropanecarbonyl-phenyl)acetonitrile
- [p-(Cyclopropylcarbonyl)phenyl]acetonitril
- < p-(Cyclopropylcarbonyl)phenyl> acetonitril
- 1-Naphthaleneacetic acid, 4-cyclopentyl-
- 4-(Cyclopropylcarbonyl)phenylacetonitrile
- ACMC-20lwvd
- AGN-PC-00LEXX
- CTK3F6896
- p-Cyclopropyl-carbonyl-phenyl-acetonitril
- p-(Cyclopropylcarbonyl)phenylacetonitrile
- 2-chloromethyl-3-methyl-4-methoxypropoxypyridine oxide
- AKOS006285239
- DTXSID501265632
- SCHEMBL3681754
- 2-(4-CYCLOPROPANECARBONYLPHENYL)ACETONITRILE
- 4-CYCLOPROPYLCARBONYLPHENYLACETONITRILE
- 2-(4-(cyclopropanecarbonyl)phenyl)acetonitrile
- ZYNFLGUZGVTJOQ-UHFFFAOYSA-N
- 4-(Cyclopropylcarbonyl)benzeneacetonitrile
- 35981-67-0
-
- Inchi： 1S/C12H11NO/c13-8-7-9-1-3-10(4-2-9)12(14)11-5-6-11/h1-4,11H,5-7H2
- InChI Key： ZYNFLGUZGVTJOQ-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(CC#N)=CC=1)C1CC1
Computed Properties
- Exact Mass: 185.08413
- Monoisotopic Mass: 185.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 263
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- Density: 1.183±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Very slightly soluble (0.31 g/l) (25 o C),
- PSA: 40.86
- LogP: 2.34538
Benzeneacetonitrile,4-(cyclopropylcarbonyl)- Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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