CAS
94815-68-6 Purity
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94815-68-6 Purity
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![Benzoic acid,3-[2-[2,4-diamino-5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]phenyl]diazenyl]-2-hydroxy-5-sulfo-,sodium salt(1:2)](https://resource.alfa-chemistry.com/structure/94825-14-6.gif)
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6-Hydroxy warfarin-d5
CAS
94820-64-1
Catalog Number
ACM94820641
Category
Other Products
Molecular Weight
329.36
Molecular Formula
C19H11D5O5
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Specification
Synonyms
4,6-Dihydroxy-3-[3-oxo-1-(phenyl-d5)butyl]-2H-1-benzopyran-2-one; 3-(α-Acetonylbenzyl)-4,6-dihydroxycoumarin-d5;
IUPAC Name
4,6-dihydroxy-3-[3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)butyl]chromen-2-one
InChI Key
IQWPEJBUOJQPDE-VIQYUKPQSA-N
Exact Mass
324.10000
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of 6-Hydroxy warfarin-d5?
The molecular formula of 6-Hydroxy warfarin-d5 is C19H16O5.
What is the molecular weight of 6-Hydroxy warfarin-d5?
The molecular weight of 6-Hydroxy warfarin-d5 is 329.4 g/mol.
What is the IUPAC name of 6-Hydroxy warfarin-d5?
The IUPAC name of 6-Hydroxy warfarin-d5 is 4,6-dihydroxy-3-[3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)butyl]chromen-2-one.
What is the InChI of 6-Hydroxy warfarin-d5?
The InChI of 6-Hydroxy warfarin-d5 is InChI=1S/C19H16O5/c1-11(20)9-14(12-5-3-2-4-6-12)17-18(22)15-10-13(21)7-8-16(15)24-19(17)23/h2-8,10,14,21-22H,9H2,1H3/i2D,3D,4D,5D,6D.
What is the InChIKey of 6-Hydroxy warfarin-d5?
The InChIKey of 6-Hydroxy warfarin-d5 is IQWPEJBUOJQPDE-VIQYUKPQSA-N.
What is the canonical SMILES of 6-Hydroxy warfarin-d5?
The canonical SMILES of 6-Hydroxy warfarin-d5 is CC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C=CC(=C3)O)OC2=O)O.
What is the isomeric SMILES of 6-Hydroxy warfarin-d5?
The isomeric SMILES of 6-Hydroxy warfarin-d5 is [2H]C1=C(C(=C(C(=C1[2H])[2H])C(CC(=O)C)C2=C(C3=C(C=CC(=C3)O)OC2=O)O)[2H])[2H].
What is the CAS number of 6-Hydroxy warfarin-d5?
The CAS number of 6-Hydroxy warfarin-d5 is 94820-64-1.
What is the XLogP3 value of 6-Hydroxy warfarin-d5?
The XLogP3 value of 6-Hydroxy warfarin-d5 is 2.3.
Is 6-Hydroxy warfarin-d5 a canonicalized compound?
Yes, 6-Hydroxy warfarin-d5 is a canonicalized compound.
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