Cas no 85057-78-9 ( )
structure
Product Name:
CAS No:85057-78-9
MF:C10H13NO4
MW:211.214523077011
CID:883035
PubChem ID:275007
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 5-ethoxycarbonyl-3,4-dimethyl-1H-pyrrole-2-carboxylic acid
- Oprea1_717163
- CHEMBL1173367
- DTXSID70298199
- 5-(ethoxycarbonyl)-3,4-dimethyl-1h-pyrrole-2-carboxylic acid
- Oprea1_797208
- NSC-121395
- 3,4-dimethyl-5-ethoxycarbonylpyrrole-2-carboxylic acid
- ETHYL 5-CARBOXY-3,4-DIMETHYL-2-PYRROLECARBOXYLATE
- AKOS000730748
- SR-01000359024
- SR-01000359024-1
- NSC121395
- 85057-78-9
-
-
- Inchi： 1S/C10H13NO4/c1-4-15-10(14)8-6(3)5(2)7(11-8)9(12)13/h11H,4H2,1-3H3,(H,12,13)
- InChI Key： OYKJXZRAENDCCO-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=C(C)C(C)=C(C(=O)O)N1)=O
Computed Properties
- Exact Mass: 211.08445790g/mol
- Monoisotopic Mass: 211.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 266
- 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: 1.9
- Topological Polar Surface Area: 79.4?2
Related Literature
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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
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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