Cas no 89686-35-1 (1H-Pyrrol-2-ol, 3,4-dimethyl-)
1H-Pyrrol-2-ol, 3,4-dimethyl- structure
Product Name:1H-Pyrrol-2-ol, 3,4-dimethyl-
CAS No:89686-35-1
MF:C6H9NO
MW:111.141761541367
CID:592277
PubChem ID:13795006
Update Time:2025-04-19
1H-Pyrrol-2-ol, 3,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrol-2-ol, 3,4-dimethyl-
- 3,4-dimethyl-1H-pyrrol-2-ol
- DTXSID80549689
- 89686-35-1
- SCHEMBL11729997
-
- Inchi: 1S/C6H9NO/c1-4-3-7-6(8)5(4)2/h3,7-8H,1-2H3
- InChI Key: HSWTUQOADKTPMF-UHFFFAOYSA-N
- SMILES: OC1=C(C)C(C)=CN1
Computed Properties
- Exact Mass: 111.068413911g/mol
- Monoisotopic Mass: 111.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 84.6
- 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: 1.4
- Topological Polar Surface Area: 36?2
1H-Pyrrol-2-ol, 3,4-dimethyl- Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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