Cas no 77191-07-2 (1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-2,2,4,5,5-pentamethyl-)
77191-07-2 structure
Product Name:1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-2,2,4,5,5-pentamethyl-
CAS No:77191-07-2
MF:C10H17NO
MW:167.248082876205
CID:536525
PubChem ID:13474725
Update Time:2025-04-19
1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-2,2,4,5,5-pentamethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-2,2,4,5,5-pentamethyl-
- 2,2,4,5,5-pentamethyl-1H-pyrrole-3-carbaldehyde
- DTXSID50541731
- 77191-07-2
- SCHEMBL11192304
- 2,2,4,5,5-Pentamethyl-2,5-dihydro-1H-pyrrole-3-carbaldehyde
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- Inchi： 1S/C10H17NO/c1-7-8(6-12)10(4,5)11-9(7,2)3/h6,11H,1-5H3
- InChI Key： KQCAARBOQRQIKO-UHFFFAOYSA-N
- SMILES： O=CC1=C(C)C(C)(C)NC1(C)C
Computed Properties
- Exact Mass: 167.131014166g/mol
- Monoisotopic Mass: 167.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 249
- 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: 0.3
- Topological Polar Surface Area: 29.1?2
1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-2,2,4,5,5-pentamethyl- Related Literature
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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
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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
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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