CAS
94333-33-2 Purity
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94333-33-2 Purity
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Iron 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate(1:2)
CAS
94333-36-5
Catalog Number
ACM94333365
Category
Other Products
Molecular Weight
366.0216
Molecular Formula
C5H4N2O4.1/2Fe
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Specification
IUPAC Name
2,4-dioxo-1H-pyrimidine-6-carboxylate;iron(2+)
Canonical SMILES
C1=C(NC(=O)NC1=O)C(=O)[O-].C1=C(NC(=O)NC1=O)C(=O)[O-].C1=C(NC(=O)NC1=O)C(=O)[O-].[Fe+3]
InChI Key
QOOMRZNLVISVGR-UHFFFAOYSA-L
Density
g/cm³
EC Number
305-013-8
H-Bond Acceptor
8
H-Bond Donor
4
What is the molecular formula of Iron 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate(1:2)?
The molecular formula is C15H9FeN6O12.
What is the molecular weight of Iron 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate(1:2)?
The molecular weight is 521.11 g/mol.
When was Iron 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate(1:2) first created in PubChem?
It was first created on 2010-02-22.
What is the IUPAC name of Iron 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate(1:2)?
The IUPAC name is 2,4-dioxo-1H-pyrimidine-6-carboxylate;iron(3+).
How many hydrogen bond donor counts are there in Iron 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate(1:2)?
There are 6 hydrogen bond donor counts.
What is the exact mass of Iron 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate(1:2)?
The exact mass is 520.962780 g/mol.
How many covalently-bonded unit counts are there in Iron 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate(1:2)?
There are 4 covalently-bonded unit counts.
Is Iron 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate(1:2) a canonicalized compound?
Yes, it is canonicalized.
What is the complexity value of Iron 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate(1:2)?
The complexity value is 262.
What is the topological polar surface area of Iron 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate(1:2)?
The topological polar surface area is 295 Å2.
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