CAS
94313-95-8 Purity
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94313-95-8 Purity
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![Lithium sodium 4-[[4-[[4-(2-hydroxypropoxy)phenyl]azo]-5-methoxy-2-methylphenyl]azo]benzenesulfonate](https://resource.alfa-chemistry.com/structure/94313-96-9.gif)
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Dodecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
CAS
94313-98-1
Catalog Number
ACM94313981
Category
Other Products
Molecular Weight
324.415220 [g/mol]
Molecular Formula
C17H28N2O4
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Specification
Synonyms
EINECS 304-998-1, CID3024315, Dodecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate, 94313-98-1
IUPAC Name
dodecyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
Canonical SMILES
CCCCCCCCCCCCOC(=O)C1=CC(=O)NC(=O)N1
InChI Key
VDRNRWULSNOIRB-UHFFFAOYSA-N
Density
1.074g/cm³
EC Number
304-998-1
Exact Mass
324.20500
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of dodecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate?
The molecular formula is C17H28N2O4.
When was the compound created and last modified?
The compound was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is dodecyl 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the molecular weight of dodecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate?
The molecular weight is 324.4 g/mol.
What is the Canonical SMILES for the compound?
The Canonical SMILES is CCCCCCCCCCCCOC(=O)C1=CC(=O)NC(=O)N1.
What is the exact mass of the compound?
The exact mass is 324.20490738 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the XLogP3-AA value for dodecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate?
The XLogP3-AA value is 4.7.
How many rotatable bond counts does the compound have?
The compound has 13 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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