Cas no 868161-62-0 (Butanedioic acid,1-[[4-(hydroxymethyl)phenyl]methyl] ester)
![Butanedioic acid,1-[[4-(hydroxymethyl)phenyl]methyl] ester structure](https://ossimg.kuujia.com/scimg/868500/868161-62-0x500.png)
868161-62-0 structure
Product Name:Butanedioic acid,1-[[4-(hydroxymethyl)phenyl]methyl] ester
CAS No:868161-62-0
MF:C12H14O5
MW:238.236564159393
CID:718943
Update Time:2024-01-31
Butanedioic acid,1-[[4-(hydroxymethyl)phenyl]methyl] ester Chemical and Physical Properties
Names and Identifiers
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- Butanedioic acid,1-[[4-(hydroxymethyl)phenyl]methyl] ester
- Butanedioic acid, mono[[4-(hydroxymethyl)phenyl]methyl] ester (9CI)
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- Inchi： 1S/C12H14O5/c13-7-9-1-3-10(4-2-9)8-17-12(16)6-5-11(14)15/h1-4,13H,5-8H2,(H,14,15)
- InChI Key： KGLYGLGDZZQSAC-UHFFFAOYSA-N
- SMILES： C(OCC1=CC=C(CO)C=C1)(=O)CCC(O)=O
Computed Properties
- Exact Mass: 238.084
- Monoisotopic Mass: 238.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 256
- 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: 83.8A^2
Butanedioic acid,1-[[4-(hydroxymethyl)phenyl]methyl] ester Related Literature
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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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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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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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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
868161-62-0 (Butanedioic acid,1-[[4-(hydroxymethyl)phenyl]methyl] ester) Related Products
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