CAS
936621-16-8 Purity
96%
936621-16-8 Purity
96%
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3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-propionic acid
CAS
936643-76-4
Catalog Number
ACM936643764
Category
Other Products
Molecular Weight
244.25
Molecular Formula
C12H12N4O2
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Specification
Synonyms
1-(PYRIMIDIN-2-YL-METHYL)-2-(PYRIMIDIN-2-YL)-PROPANOIC ACID;3-PYRIMIDIN-2-YL-2-PYRIMIDIN-2-YLMETHYL-PROPIONIC ACID
IUPAC Name
3-pyrimidin-2-yl-2-(pyrimidin-2-ylmethyl)propanoic acid
InChI Key
MXSGIVAJXIIMDJ-UHFFFAOYSA-N
Boiling Point
430.6ºC at 760 mmHg
Flash Point
214.2ºC
Density
1.328g/cm³
Appearance
A crystalline solid
Exact Mass
244.09600
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of 3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-propionic acid?
The molecular formula is C12H12N4O2.
What is the molecular weight of 3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-propionic acid?
The molecular weight is 244.25 g/mol.
What is the IUPAC name of 3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-propionic acid?
The IUPAC name is 3-pyrimidin-2-yl-2-(pyrimidin-2-ylmethyl)propanoic acid.
What is the InChI of 3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-propionic acid?
The InChI is InChI=1S/C12H12N4O2/c17-12(18)9(7-10-13-3-1-4-14-10)8-11-15-5-2-6-16-11/h1-6,9H,7-8H2,(H,17,18).
What is the InChIKey of 3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-propionic acid?
The InChIKey is MXSGIVAJXIIMDJ-UHFFFAOYSA-N.
What is the canonical SMILES representation of 3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-propionic acid?
The canonical SMILES is C1=CN=C(N=C1)CC(CC2=NC=CC=N2)C(=O)O.
How many hydrogen bond donor counts are there in 3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-propionic acid?
There is 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts are there in 3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-propionic acid?
There are 6 hydrogen bond acceptor counts.
What is the topological polar surface area of 3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-propionic acid?
The topological polar surface area is 88.9 Å2.
Is 3-Pyrimidin-2-yl-2-pyrimidin-2-ylmethyl-propionic acid a canonicalized compound?
Yes, the compound is canonicalized.
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