CAS
95309-09-4 Purity
96%
95309-09-4 Purity
96%
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(S)-3-Hydroxyglutarate ethyl
CAS
95310-88-6
Catalog Number
ACM95310886
Category
Other Products
Molecular Weight
176.17
Molecular Formula
C7H12O5
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Specification
Synonyms
ETHYL (S)-3-HYDROXYGLUTARATE
What is the molecular formula of (S)-3-Hydroxyglutarate ethyl?
The molecular formula is C7H12O5.
What is the molecular weight of (S)-3-Hydroxyglutarate ethyl?
The molecular weight is 176.17 g/mol.
What is the IUPAC name of (S)-3-Hydroxyglutarate ethyl?
The IUPAC name is (3S)-5-ethoxy-3-hydroxy-5-oxopentanoic acid.
What is the InChI of (S)-3-Hydroxyglutarate ethyl?
The InChI is InChI=1S/C7H12O5/c1-2-12-7(11)4-5(8)3-6(9)10/h5,8H,2-4H2,1H3,(H,9,10)/t5-/m0/s1.
What is the InChIKey of (S)-3-Hydroxyglutarate ethyl?
The InChIKey is OEJAZOGPPRWZKM-YFKPBYRVSA-N.
What is the canonical SMILES of (S)-3-Hydroxyglutarate ethyl?
The canonical SMILES is CCOC(=O)CC(CC(=O)O)O.
How many hydrogen bond donor counts are there in (S)-3-Hydroxyglutarate ethyl?
There are 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are there in (S)-3-Hydroxyglutarate ethyl?
There are 5 hydrogen bond acceptor counts.
How many rotatable bond counts are there in (S)-3-Hydroxyglutarate ethyl?
There are 6 rotatable bond counts.
What is the topological polar surface area of (S)-3-Hydroxyglutarate ethyl?
The topological polar surface area is 83.8?2.
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