Cas no 5926-07-8 (Acetic acid,2-[5-methyl-2-(1-methylethyl)-4-thiocyanatophenoxy]-, 2-propyn-1-yl ester)
![Acetic acid,2-[5-methyl-2-(1-methylethyl)-4-thiocyanatophenoxy]-, 2-propyn-1-yl ester structure](https://ossimg.kuujia.com/scimg/6000/5926-07-8x500.png)
5926-07-8 structure
Product Name:Acetic acid,2-[5-methyl-2-(1-methylethyl)-4-thiocyanatophenoxy]-, 2-propyn-1-yl ester
CAS No:5926-07-8
MF:C12H10O3
MW:202.206003665924
CID:380929
PubChem ID:761020
Update Time:2025-04-19
Acetic acid,2-[5-methyl-2-(1-methylethyl)-4-thiocyanatophenoxy]-, 2-propyn-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2-[5-methyl-2-(1-methylethyl)-4-thiocyanatophenoxy]-, 2-propyn-1-yl ester
- SCHEMBL3973961
- SR-01000223517-1
- CS-0326742
- 5-methyl-2-phenylfuran-3-carboxylic acid
- 5-METHYL-2-PHENYL-3-FUROICACID
- MFCD00447900
- 5-Methyl-2-phenylfuran-3-carboxylicacid
- 64354-50-3
- 5-Methyl-2-phenyl-3-furoic acid, AldrichCPR
- Cambridge id 5926078
- MS-22442
- CHEBI:194852
- 5926-07-8
- A867896
- CBMicro_037588
- 5-Methyl-2-phenyl-3-furoic acid
- FT-0736584
- 5-methyl-2-phenyluran-3-carboxylic acid
- SR-01000223517
- DTXSID30974684
- CASZQQKUMVLKBY-UHFFFAOYSA-N
- AKOS006221852
- BIM-0037701.P001
-
- Inchi： 1S/C12H10O3/c1-8-7-10(12(13)14)11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
- InChI Key： CASZQQKUMVLKBY-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(C(=O)O)=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 202.063
- Monoisotopic Mass: 202.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 233
- 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: 2.6
- Topological Polar Surface Area: 50.4?2
Experimental Properties
- Density: 1.215
- Melting Point: 145-147.5
- Boiling Point: 312.5°C at 760 mmHg
- Flash Point: 142.8°C
- Refractive Index: 1.574
- PSA: 50.44000
- LogP: 2.95320
Acetic acid,2-[5-methyl-2-(1-methylethyl)-4-thiocyanatophenoxy]-, 2-propyn-1-yl ester Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
5926-07-8 (Acetic acid,2-[5-methyl-2-(1-methylethyl)-4-thiocyanatophenoxy]-, 2-propyn-1-yl ester) Related Products
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