CAS
97987-88-7 Purity
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97987-88-7 Purity
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1,4-Butanediyl,2-amino-1-carboxy-1-formyl-4-hydroxy-(9ci)
CAS
97988-60-8
Catalog Number
ACM97988608
Category
Other Products
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- Case Study
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- Synthetic Use
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What is the molecular formula of the compound?
The molecular formula of the compound is C6H9NO4.
What is the molecular weight of the compound?
The molecular weight of the compound is 159.14 g/mol.
When was the compound created and modified in PubChem?
The compound was created on February 16, 2015, and last modified on December 30, 2023.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C6H9NO4/c7-5(1-2-8)4(3-9)6(10)11/h2-3,5,8H,1,7H2,(H,10,11).
What is the InChIKey of the compound?
The InChIKey of the compound is SGNNYTVKMFLOCU-UHFFFAOYSA-N.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation of the compound is C([CH]O)C([C](C=O)C(=O)O)N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is -4.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 5 rotatable bond counts.
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