Cas no 127761-30-2 (3-Pyrrolidineacetic acid,2-carboxy-4-[(1E,3Z)-5-carboxy-1-methyl-1,3-hexadien-1-yl]-, (2R,3R)-rel-)
![3-Pyrrolidineacetic acid,2-carboxy-4-[(1E,3Z)-5-carboxy-1-methyl-1,3-hexadien-1-yl]-, (2R,3R)-rel- structure](https://ossimg.kuujia.com/scimg/128000/127761-30-2x500.png)
127761-30-2 structure
Product Name:3-Pyrrolidineacetic acid,2-carboxy-4-[(1E,3Z)-5-carboxy-1-methyl-1,3-hexadien-1-yl]-, (2R,3R)-rel-
CAS No:127761-30-2
MF:C15H21NO6
MW:311.33034491539
CID:148990
Update Time:2025-04-19
3-Pyrrolidineacetic acid,2-carboxy-4-[(1E,3Z)-5-carboxy-1-methyl-1,3-hexadien-1-yl]-, (2R,3R)-rel- Chemical and Physical Properties
Names and Identifiers
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- 3-Pyrrolidineacetic acid,2-carboxy-4-[(1E,3Z)-5-carboxy-1-methyl-1,3-hexadien-1-yl]-, (2R,3R)-rel-
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- Inchi： 1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3-,8-4+
- InChI Key： VZFRNCSOCOPNDB-VOGDQUTBSA-N
- SMILES： CC(C(=O)O)/C=C\C=C(\C1C(CC(=O)O)C(C(=O)O)NC1)/C
Computed Properties
- Exact Mass: 311.136887
- Monoisotopic Mass: 311.136887
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 510
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 124
3-Pyrrolidineacetic acid,2-carboxy-4-[(1E,3Z)-5-carboxy-1-methyl-1,3-hexadien-1-yl]-, (2R,3R)-rel- Related Literature
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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