CAS
93-92-5 Purity
99%
93-92-5 Purity
99%
![3a,4,5,6,6a,7,8,9,9a,9b-Decahydro-4,6,9-trihydroxy-6,9-dimethyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one](https://resource.alfa-chemistry.com/structure/93930-14-4.gif)
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2-Cyano-4-hydroxy-cyclopentane-carboxylic acid methyl ester
CAS
93929-60-3
Catalog Number
ACM93929603
Category
Other Products
Molecular Weight
169.17784
Molecular Formula
C8H11NO3
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Specification
Synonyms
2-CYANO-4-HYDROXY-CYCLOPENTANE-CARBOXYLIC ACID METHYL ESTER
IUPAC Name
methyl 2-cyano-4-hydroxycyclopentane-1-carboxylate
Canonical SMILES
COC(=O)C1CC(CC1C#N)O
InChI Key
ALWJXCPMGIIPHT-UHFFFAOYSA-N
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C8H11NO3.
What are the synonyms for the compound?
The synonyms for the compound are 93929-60-3, METHYL 2-CYANO-4-HYDROXYCYCLOPENTANE-1-CARBOXYLATE, 2-CYANO-4-HYDROXY-CYCLOPENTANE-CARBOXYLIC ACID METHYL ESTER, DTXSID80698525, and AKOS006306326.
What is the molecular weight of the compound?
The molecular weight of the compound is 169.18 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is methyl 2-cyano-4-hydroxycyclopentane-1-carboxylate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C8H11NO3/c1-12-8(11)7-3-6(10)2-5(7)4-9/h5-7,10H,2-3H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is ALWJXCPMGIIPHT-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is COC(=O)C1CC(CC1C#N)O.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is -0.3.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
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