Cas no 102619-08-9 (1H-Pyrrole-1-carboxylicacid, 2-propen-1-yl ester)
102619-08-9 structure
Product Name:1H-Pyrrole-1-carboxylicacid, 2-propen-1-yl ester
CAS No:102619-08-9
MF:C8H9NO2
MW:151.162562131882
CID:125167
PubChem ID:13551980
Update Time:2025-04-18
1H-Pyrrole-1-carboxylicacid, 2-propen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-1-carboxylicacid, 2-propen-1-yl ester
- 1H-Pyrrole-1-carboxylicacid,2-propenylester(9CI)
- prop-1-en-2-yl pyrrole-1-carboxylate
- 1H-PYRROLE-1-CARBOXYLIC ACID 2-ALLYL ESTER
- 1-Pyrrolcarbonsaeure-2-propenylester
- ACMC-20m5lp
- AG-D-12189
- allyl 1H-pyrrole-1-carboxylate
- CTK4A1340
- 102619-08-9
- SCHEMBL5511232
-
- Inchi： 1S/C8H9NO2/c1-2-7-11-8(10)9-5-3-4-6-9/h2-6H,1,7H2
- InChI Key： MKOZEKMIBBIWMW-UHFFFAOYSA-N
- SMILES： O(CC=C)C(N1C=CC=C1)=O
Computed Properties
- Exact Mass: 151.063329g/mol
- Monoisotopic Mass: 151.063329g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 171
- 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
- Molecular Weight: 151.16g/mol
- XLogP3: 1.8
- Topological Polar Surface Area: 31.2?2
Experimental Properties
- PSA: 31.23000
- LogP: 2.00640
1H-Pyrrole-1-carboxylicacid, 2-propen-1-yl ester Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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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
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