Cas no 740028-85-7 (Ethanol,1-(4-methyl-3H-pyrrol-3-ylidene)-)
740028-85-7 structure
Product Name:Ethanol,1-(4-methyl-3H-pyrrol-3-ylidene)-
CAS No:740028-85-7
MF:C7H9NO
MW:123.152461767197
CID:560004
PubChem ID:698832
Update Time:2025-04-19
Ethanol,1-(4-methyl-3H-pyrrol-3-ylidene)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol,1-(4-methyl-3H-pyrrol-3-ylidene)-
- Ethanol, 1-(4-methyl-3H-pyrrol-3-ylidene)- (9CI)
- AKOS005524562
- AS-63824
- 1-(4-Methyl-3H-pyrrol-3-ylidene)ethan-1-ol
- W17613
- CS-W004654
- 740028-85-7
- AB01330699-02
- Desoxyverrucarin E
- AM20080563
- SY320249
- 1-(4-methyl-1H-pyrrol-3-yl)-1-ethanone
- 18818-30-9
- NCGC00338660-01
- MFCD00111582
- 3-acetyl-4-methylpyrrole
- AB03448
- 3-acetyl-4-methyl-pyrrole
- 1-(4-METHYL-1H-PYRROL-3-YL)ETHAN-1-ONE
- Ethanone, 1-(4-methyl-1H-pyrrol-3-yl)-
- A4160
- SCHEMBL2494049
- SB62990
- 1-(4-methyl-1H-pyrrol-3-yl)ethanone
- DTXSID40351381
- FT-0690683
- CHEBI:202044
-
- Inchi： 1S/C7H9NO/c1-5-3-8-4-7(5)6(2)9/h3-4,8H,1-2H3
- InChI Key： CBTWAEGIWMBHTC-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CNC=C1C
Computed Properties
- Exact Mass: 123.068413911g/mol
- Monoisotopic Mass: 123.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 122
- 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: 0.8
- Topological Polar Surface Area: 32.9?2
Ethanol,1-(4-methyl-3H-pyrrol-3-ylidene)- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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