Cas no 56015-73-7 (1H-Pyrrole-2-carboxaldehyde, 4-ethynyl-3-methyl- (9CI))
56015-73-7 structure
Product Name:1H-Pyrrole-2-carboxaldehyde, 4-ethynyl-3-methyl- (9CI)
CAS No:56015-73-7
MF:C8H7NO
MW:133.147281885147
CID:1017795
PubChem ID:12203624
Update Time:2025-04-20
1H-Pyrrole-2-carboxaldehyde, 4-ethynyl-3-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxaldehyde, 4-ethynyl-3-methyl- (9CI)
- 2-formyl-3-methyl-4-ethynylpyrrole
- DB-279845
- 56015-73-7
- 1H-Pyrrole-2-carboxaldehyde, 4-ethynyl-3-methyl-
- AKOS006307686
-
- Inchi： 1S/C8H7NO/c1-3-7-4-9-8(5-10)6(7)2/h1,4-5,9H,2H3
- InChI Key： SETQGJWGEJYQTH-UHFFFAOYSA-N
- SMILES： O=CC1=C(C)C(C#C)=CN1
Computed Properties
- Exact Mass: 133.052763847g/mol
- Monoisotopic Mass: 133.052763847g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 179
- 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: 1.1
- Topological Polar Surface Area: 32.9?2
1H-Pyrrole-2-carboxaldehyde, 4-ethynyl-3-methyl- (9CI) Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
56015-73-7 (1H-Pyrrole-2-carboxaldehyde, 4-ethynyl-3-methyl- (9CI)) Related Products
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