Cas no 89724-36-7 (4-Oxazolecarboxylic acid, 5-methyl-2-(1-methyl-3-cyclohexen-1-yl)-)
89724-36-7 structure
Product Name:4-Oxazolecarboxylic acid, 5-methyl-2-(1-methyl-3-cyclohexen-1-yl)-
CAS No:89724-36-7
MF:C12H15NO3
MW:221.252403497696
CID:591458
PubChem ID:23311272
Update Time:2025-04-19
4-Oxazolecarboxylic acid, 5-methyl-2-(1-methyl-3-cyclohexen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Oxazolecarboxylic acid, 5-methyl-2-(1-methyl-3-cyclohexen-1-yl)-
- 5-methyl-2-(1-methylcyclohex-3-en-1-yl)-1,3-oxazole-4-carboxylic acid
- DTXSID70632751
- SCHEMBL10808914
- 89724-36-7
- 5-Methyl-2-(1-methylcyclohex-3-en-1-yl)oxazole-4-carboxylic acid
-
- Inchi： 1S/C12H15NO3/c1-8-9(10(14)15)13-11(16-8)12(2)6-4-3-5-7-12/h3-4H,5-7H2,1-2H3,(H,14,15)
- InChI Key： WQFDOJFIUMZDFB-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(=O)O)N=C1C1(C)CC=CCC1
Computed Properties
- Exact Mass: 221.10519334g/mol
- Monoisotopic Mass: 221.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 315
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 63.3?2
4-Oxazolecarboxylic acid, 5-methyl-2-(1-methyl-3-cyclohexen-1-yl)- Related Literature
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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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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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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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