CAS
91063-80-8 Purity
96%
91063-80-8 Purity
96%
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(R)-Esmolol acid
CAS
910651-37-5
Catalog Number
ACM910651375
Category
Other Products
Molecular Weight
281.35
Molecular Formula
C15H23NO4
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Specification
Synonyms
4-[(2R)-2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzenepropanoic Acid;
IUPAC Name
3-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
Canonical SMILES
CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)O)O
InChI Key
ILSCWPMGTDPATI-CYBMUJFWSA-N
Exact Mass
281.16300
H-Bond Acceptor
5
H-Bond Donor
3
What is the molecular formula of (R)-Esmolol acid?
The molecular formula of (R)-Esmolol acid is C15H23NO4.
What are the synonyms of (R)-Esmolol acid?
The synonyms of (R)-Esmolol acid are 910651-37-5 and 3-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid.
What is the molecular weight of (R)-Esmolol acid?
The molecular weight of (R)-Esmolol acid is 281.35 g/mol.
What is the IUPAC name of (R)-Esmolol acid?
The IUPAC name of (R)-Esmolol acid is 3-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid.
What is the InChI of (R)-Esmolol acid?
The InChI of (R)-Esmolol acid is InChI=1S/C15H23NO4/c1-11(2)16-9-13(17)10-20-14-6-3-12(4-7-14)5-8-15(18)19/h3-4,6-7,11,13,16-17H,5,8-10H2,1-2H3,(H,18,19)/t13-/m1/s1.
What is the InChIKey of (R)-Esmolol acid?
The InChIKey of (R)-Esmolol acid is ILSCWPMGTDPATI-CYBMUJFWSA-N.
What is the canonical SMILES of (R)-Esmolol acid?
The canonical SMILES of (R)-Esmolol acid is CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)O.
What is the isomeric SMILES of (R)-Esmolol acid?
The isomeric SMILES of (R)-Esmolol acid is CC(C)NC[C@H](COC1=CC=C(C=C1)CCC(=O)O.
What is the XLogP3 value of (R)-Esmolol acid?
The XLogP3 value of (R)-Esmolol acid is -0.8.
Does (R)-Esmolol acid have a defined atom stereocenter count?
Yes, (R)-Esmolol acid has a defined atom stereocenter count of 1.
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