Cas no 97051-60-0 (Octyl 4-formylbenzoate)
Octyl 4-formylbenzoate structure
Product Name:Octyl 4-formylbenzoate
CAS No:97051-60-0
MF:C16H22O3
MW:262.344085216522
CID:2820169
PubChem ID:13404982
Update Time:2025-04-21
Octyl 4-formylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- DTXSID80539722
- SCHEMBL9762364
- OCTYL 4-FORMYLBENZOATE
- 97051-60-0
- BJRYGRGGLTYREP-UHFFFAOYSA-N
- p-octyloxycarbonylbenzaldehyde
- Octyl 4-formylbenzoate
-
- Inchi： 1S/C16H22O3/c1-2-3-4-5-6-7-12-19-16(18)15-10-8-14(13-17)9-11-15/h8-11,13H,2-7,12H2,1H3
- InChI Key： BJRYGRGGLTYREP-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C=O)=CC=1)=O)CCCCCCCC
Computed Properties
- Exact Mass: 262.15689456Da
- Monoisotopic Mass: 262.15689456Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 10
- Complexity: 255
- 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: 5.2
- Topological Polar Surface Area: 43.4?2
Octyl 4-formylbenzoate Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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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