Cas no 820237-71-6 (Butanoic acid, 4-(6-formyl-2-methyl-3-propoxyphenoxy)-, ethyl ester)
820237-71-6 structure
Product Name:Butanoic acid, 4-(6-formyl-2-methyl-3-propoxyphenoxy)-, ethyl ester
CAS No:820237-71-6
MF:C17H24O5
MW:308.369465827942
CID:700607
PubChem ID:11472340
Update Time:2025-04-19
Butanoic acid, 4-(6-formyl-2-methyl-3-propoxyphenoxy)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4-(6-formyl-2-methyl-3-propoxyphenoxy)-, ethyl ester
- ethyl 4-(6-formyl-2-methyl-3-propoxyphenoxy)butanoate
- UOTIWBJTOJMKBX-UHFFFAOYSA-N
- DTXSID60467039
- Ethyl 4-(6-Formyl-2-methyl-3-propoxy-phenoxy)-butanoate
- 820237-71-6
- SCHEMBL5448955
-
- Inchi： 1S/C17H24O5/c1-4-10-21-15-9-8-14(12-18)17(13(15)3)22-11-6-7-16(19)20-5-2/h8-9,12H,4-7,10-11H2,1-3H3
- InChI Key： UOTIWBJTOJMKBX-UHFFFAOYSA-N
- SMILES： O(CCCC(=O)OCC)C1C(C=O)=CC=C(C=1C)OCCC
Computed Properties
- Exact Mass: 308.16237386g/mol
- Monoisotopic Mass: 308.16237386g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 11
- Complexity: 331
- 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: 3.1
- Topological Polar Surface Area: 61.8?2
Butanoic acid, 4-(6-formyl-2-methyl-3-propoxyphenoxy)-, ethyl ester Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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