Cas no 37560-62-6 ( )
structure
Product Name:
CAS No:37560-62-6
MF:C13H13NO2
MW:215.247823476791
CID:922397
PubChem ID:310857
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-(3,5-dimethylphenyl)pyrrole-2-carboxylic acid
- 1-(m,m-Dimethylphenyl)-pyrrol-2-carbonsaeure
- AC1L7I3B
- NSC215987
- NSC-215987
- DTXSID60309788
- 37560-62-6
-
-
- Inchi： 1S/C13H13NO2/c1-9-6-10(2)8-11(7-9)14-5-3-4-12(14)13(15)16/h3-8H,1-2H3,(H,15,16)
- InChI Key： LRHRTPSYCSWNCG-UHFFFAOYSA-N
- SMILES： OC(C1=CC=CN1C1C=C(C)C=C(C)C=1)=O
Computed Properties
- Exact Mass: 215.09469
- Monoisotopic Mass: 215.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 257
- 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: 2.9
- Topological Polar Surface Area: 42.2?2
Experimental Properties
- PSA: 42.23
- LogP: 2.79230
Related Literature
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
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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