CAS
952182-23-9 Purity
96%
952182-23-9 Purity
96%
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Methyl 1H-pyrrole-3-carboxylate, N-BOC protected
CAS
952182-27-3
Catalog Number
ACM952182273
Category
Other Products
Molecular Weight
225.24
Molecular Formula
N1(C=C(C=C1)C(=O)OC)C(=O)OC(C)(C)C
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Specification
Synonyms
1-tert-Butyl 3-methyl 1H-pyrrole-1,3-dicarboxylate, Methyl 1-(tert-butoxycarbonyl)-1H-pyrrole-3-carboxylate
IUPAC Name
1-O-tert-butyl 3-O-methyl pyrrole-1,3-dicarboxylate
SMILES
CC(C)(C)OC(=O)N1C=CC(=C1)C(=O)OC
InChI Key
CTHZHSWSRBKAAA-UHFFFAOYSA-N
Boiling Point
302.815ºC at 760 mmHg
Flash Point
136.938ºC
Density
1.118g/cm³
Exact Mass
225.10000
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Methyl 1H-pyrrole-3-carboxylate?
The molecular formula is C11H15NO4.
When was Methyl 1H-pyrrole-3-carboxylate created in PubChem?
It was created on 2010-03-29.
What is the IUPAC Name of Methyl 1H-pyrrole-3-carboxylate?
The IUPAC Name is 1-O-tert-butyl 3-O-methyl pyrrole-1,3-dicarboxylate.
What is the InChIKey of Methyl 1H-pyrrole-3-carboxylate?
The InChIKey is CTHZHSWSRBKAAA-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Methyl 1H-pyrrole-3-carboxylate have?
It has 4 hydrogen bond acceptors.
What is the exact mass of Methyl 1H-pyrrole-3-carboxylate?
The exact mass is 225.10010796 g/mol.
How many rotatable bond counts does Methyl 1H-pyrrole-3-carboxylate have?
It has 4 rotatable bond counts.
Does Methyl 1H-pyrrole-3-carboxylate have any defined atom stereocenters?
No, it has 0 defined atom stereocenters.
What is the topological polar surface area of Methyl 1H-pyrrole-3-carboxylate?
The topological polar surface area is 57.5 Ų.
Is Methyl 1H-pyrrole-3-carboxylate considered as a canonicalized compound?
Yes, the compound is canonicalized according to PubChem.
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