CAS
937244-10-5 Purity
96%
937244-10-5 Purity
96%
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1H-Pyrrole-2,4-dicarboxylic acid
CAS
937-26-8
Catalog Number
ACM937268
Category
Other Products
Molecular Weight
155.108200 [g/mol]
Molecular Formula
C6H5NO4
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Specification
Synonyms
1H-pyrrole-2,4-dicarboxylic acid, 937-26-8, SureCN70598, CTK5H2867, MolPort-021-784-715, 1H-pyrrol-2,4-dicarbonsäure, ANW-69500, AKOS015924570, AG-L-59598, RP21921, AK-75995, KB-144864
IUPAC Name
1H-pyrrole-2,4-dicarboxylic acid
Canonical SMILES
C1=C(NC=C1C(=O)O)C(=O)O
InChI Key
NXPAUQAMRNZFFG-UHFFFAOYSA-N
Boiling Point
528.152ºC at 760 mmHg
Flash Point
273.217ºC
Density
1.671g/cm³
Exact Mass
155.02200
H-Bond Acceptor
4
H-Bond Donor
3
What is the molecular formula of 1H-Pyrrole-2,4-dicarboxylic acid?
The molecular formula is C6H5NO4.
What are some synonyms for 1H-Pyrrole-2,4-dicarboxylic acid?
Some synonyms include pyrrole-2,4-dicarboxylic acid and 1H-pyrrole-2,4-dicarboxylic acid.
When was 1H-Pyrrole-2,4-dicarboxylic acid created and last modified?
It was created on 2007-12-05 and last modified on 2023-12-30.
What is the molecular weight of 1H-Pyrrole-2,4-dicarboxylic acid?
The molecular weight is 155.11 g/mol.
What is the InChIKey of 1H-Pyrrole-2,4-dicarboxylic acid?
The InChIKey is NXPAUQAMRNZFFG-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 1H-Pyrrole-2,4-dicarboxylic acid?
There are 3 hydrogen bond donor counts.
What is the XLogP3-AA value of 1H-Pyrrole-2,4-dicarboxylic acid?
The XLogP3-AA value is 0.1.
How many rotatable bond counts are there in 1H-Pyrrole-2,4-dicarboxylic acid?
There are 2 rotatable bond counts.
What is the topological polar surface area of 1H-Pyrrole-2,4-dicarboxylic acid?
The topological polar surface area is 90.4 Ų.
Is 1H-Pyrrole-2,4-dicarboxylic acid considered a canonicalized compound?
Yes, it is considered a canonicalized compound.
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