CAS
90459-46-4 Purity
96%
90459-46-4 Purity
96%
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2,4,6(3H)-Pteridinetrione,7-[2-(4-chlorophenyl)-2-oxoethylidene]-1,5,7,8-tetrahydro-1,3-dimethyl-
CAS
904600-45-9
Catalog Number
ACM904600459
Category
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What is the molecular formula of 2,4,6(3H)-Pteridinetrione,7-[2-(4-chlorophenyl)-2-oxoethylidene]-1,5,7,8-tetrahydro-1,3-dimethyl?
The molecular formula is C16H13ClN4O4.
What is the molecular weight of 2,4,6(3H)-Pteridinetrione,7-[2-(4-chlorophenyl)-2-oxoethylidene]-1,5,7,8-tetrahydro-1,3-dimethyl?
The molecular weight is 360.75 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 7-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-1,3-dimethyl-5H-pteridine-2,4,6-trione.
What is the InChI of 2,4,6(3H)-Pteridinetrione,7-[2-(4-chlorophenyl)-2-oxoethylidene]-1,5,7,8-tetrahydro-1,3-dimethyl?
The InChI is InChI=1S/C16H13ClN4O4/c1-20-13-12(15(24)21(2)16(20)25)19-14(23)10(18-13)7-11(22)8-3-5-9(17)6-4-8/h3-7,22H,1-2H3,(H,19,23)/b11-7-
What is the InChIKey of the compound?
The InChIKey is FPQPJNFKQPQRSC-XFFZJAGNSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 0.7.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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