Cas no 756760-16-4 (1H-Pyrrole-2-carboxylicacid, 1,3,5-trimethyl-)
756760-16-4 structure
Product Name:1H-Pyrrole-2-carboxylicacid, 1,3,5-trimethyl-
CAS No:756760-16-4
MF:C8H11NO2
MW:153.178442239761
CID:549132
PubChem ID:20285406
Update Time:2025-04-19
1H-Pyrrole-2-carboxylicacid, 1,3,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxylicacid, 1,3,5-trimethyl-
- 2-Pyrrolecarboxylicacid, 1,3,5-trimethyl- (5CI)
- 1,3,5-trimethyl-1H-Pyrrole-2-carboxylic acid
- 1,3,5-trimethylpyrrole-2-carboxylic acid
- 1H-Pyrrole-2-carboxylicacid,1,3,5-trimethyl-(9CI)
- 756760-16-4
- AT34111
- SCHEMBL9955427
- DTXSID60604649
-
- Inchi： 1S/C8H11NO2/c1-5-4-6(2)9(3)7(5)8(10)11/h4H,1-3H3,(H,10,11)
- InChI Key： UUYNZCLYPLJBTG-UHFFFAOYSA-N
- SMILES： OC(C1=C(C)C=C(C)N1C)=O
Computed Properties
- Exact Mass: 153.078978594g/mol
- Monoisotopic Mass: 153.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 170
- 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: 1.3
- Topological Polar Surface Area: 42.2?2
Experimental Properties
- Density: 1.13
1H-Pyrrole-2-carboxylicacid, 1,3,5-trimethyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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