Cas no 55191-33-8 (3-Oxooctadecanedioic acid dimethyl ester)
55191-33-8 structure
Product Name:3-Oxooctadecanedioic acid dimethyl ester
CAS No:55191-33-8
MF:C20H36O5
MW:356.49684715271
CID:2184057
PubChem ID:71438368
Update Time:2025-04-21
3-Oxooctadecanedioic acid dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Oxooctadecanedioic acid dimethyl ester
- DB-271762
- 55191-33-8
-
- Inchi： 1S/C20H36O5/c1-24-19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)17-20(23)25-2/h3-17H2,1-2H3
- InChI Key： MZXRBOONFWXORS-UHFFFAOYSA-N
- SMILES： O=C(CC(=O)OC)CCCCCCCCCCCCCCC(=O)OC
Computed Properties
- Exact Mass: 356.256
- Monoisotopic Mass: 356.256
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 19
- Complexity: 365
- 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
- Topological Polar Surface Area: 69.7A^2
- XLogP3: 5.9
3-Oxooctadecanedioic acid dimethyl ester Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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