CAS
953089-09-3 Purity
96%
953089-09-3 Purity
96%
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1H-Imidazole,5-(4-ethoxyphenyl)-2-[2-(2-furanyl)ethenyl]-4-phenyl-
CAS
95310-48-8
Catalog Number
ACM95310488
Category
Other Products
Molecular Weight
211.05
Molecular Formula
C23H20N2O2
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Specification
Synonyms
ETHYL-(R)-(+)-BROMO-3-HYDROXYBUTANOATE;ETHYL (R)-4-BROMO-3-HYDROXYBUTANOATE;ETHYL R-(+)-4-BROMO-3-HYDROXYBUTANOATE;ETHYL (R)-(+)-4-BROMO-3-HYDROXYBUTYRATE;BUTANOIC ACID, 4-BROMO-3-HDROXY-, ETHYL ESTER, (R);(R)-4-BROMO-3-HYDROXYBUTYRIC ACID ETHYL ETHER
IUPAC Name
ethyl (3R)-4-bromo-3-hydroxybutanoate
InChI Key
AIZRKZQHJNWBEI-RXMQYKEDSA-N
Boiling Point
285.1ºC at 760 mmHg
Flash Point
126.2ºC
Density
1.468 g/mL at 25 °C(lit.)
Exact Mass
209.98900
H-Bond Acceptor
3
H-Bond Donor
1
WGK Germany
3
What is the molecular formula of the compound mentioned in the reference?
The molecular formula is C6H11BrO3.
What is the molecular weight of the compound?
The molecular weight is 211.05 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is ethyl (3R)-4-bromo-3-hydroxybutanoate.
What is the InChI of the compound?
The InChI is InChI=1S/C6H11BrO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m1/s1.
What is the InChIKey of the compound?
The InChIKey is AIZRKZQHJNWBEI-RXMQYKEDSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCOC(=O)CC(CBr)O.
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 3 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 46.5 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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