Cas no 835655-31-7 (Butanoic acid, 2-ethoxy-3,4-dihydroxy-)
835655-31-7 structure
Product Name:Butanoic acid, 2-ethoxy-3,4-dihydroxy-
CAS No:835655-31-7
MF:C6H12O5
MW:164.156482696533
CID:668883
PubChem ID:71414992
Update Time:2025-04-19
Butanoic acid, 2-ethoxy-3,4-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-ethoxy-3,4-dihydroxy-
- 2-ethoxy-3,4-dihydroxybutanoic acid
- 3,4-dihydroxy-2-ethoxybutanoic acid
- DTXSID40834422
- 835655-31-7
-
- Inchi： 1S/C6H12O5/c1-2-11-5(6(9)10)4(8)3-7/h4-5,7-8H,2-3H2,1H3,(H,9,10)
- InChI Key： YWHJWYJLCFVYTC-UHFFFAOYSA-N
- SMILES： O(CC)C(C(=O)O)C(CO)O
Computed Properties
- Exact Mass: 164.06847348g/mol
- Monoisotopic Mass: 164.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 124
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.2
- Topological Polar Surface Area: 87?2
Butanoic acid, 2-ethoxy-3,4-dihydroxy- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
835655-31-7 (Butanoic acid, 2-ethoxy-3,4-dihydroxy-) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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