Cas no 832684-43-2 (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid)
832684-43-2 structure
Product Name:5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CAS No:832684-43-2
MF:C12H17NO3
MW:223.268283605576
MDL:MFCD04969897
CID:834833
PubChem ID:2978334
Update Time:2025-04-19
5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-(tert-Butyl)-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxylic acid
- 1,2-Benzisoxazole-3-carboxylic acid, 5-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-
- 5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
- 5-TERT-BUTYL-4,5,6,7-TETRAHYDRO-BENZO[D]ISOXAZOLE-3-CARBOXYLIC ACID
- 5-tert-butyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxylic acid
- 5-(tert-butyl)-4,5,6,7-tetrahydrobenzo[2,1-d]isoxazole-3-carboxylic acid
- AKOS000303332
- FT-0678744
- AKOS016345021
- BAS 10826984
- 5-tert-Butyl-4,5,6,7-tetrahydro-benzo[d]isoxazole-3-carboxylic acid, AldrichCPR
- 5-(tert-Butyl)-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxylicacid
- SCHEMBL20507182
- EN300-83718
- 832684-43-2
- MLS000716193
- MFCD04969897
- DTXSID90388061
- HMS3468L20
- 5-(tert-Butyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxylic acid
- BRD-A65758829-001-08-4
- F17962
- CHEMBL260594
- HMS2637E19
- A864292
- HMS3363D09
- SMR000277710
- CS-0262785
- BBL039966
- DB-340572
- STK349640
-
- MDL: MFCD04969897
- Inchi: 1S/C12H17NO3/c1-12(2,3)7-4-5-9-8(6-7)10(11(14)15)13-16-9/h7H,4-6H2,1-3H3,(H,14,15)
- InChI Key: YAICHDLMXOAJLD-UHFFFAOYSA-N
- SMILES: O1C2=C(C(C(=O)O)=N1)CC(CC2)C(C)(C)C
Computed Properties
- Exact Mass: 223.12100
- Monoisotopic Mass: 223.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 285
- 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: 2.9
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- PSA: 63.33000
- LogP: 2.52380
5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid Security Information
- HazardClass:IRRITANT
5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid Pricemore >>
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$*** | 2023-05-29 | |
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| Enamine | EN300-83718-0.1g |
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$106.0 | 2023-09-02 |
5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid Related Literature
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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