2- (2-Pyrazinyl) malondialdehyde

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CAS Number

13481-00-0

Chemical Information

2-(Pyrazin-2-yl)malonaldehyde

CAS Number	13481-00-0
PubChem CID	2737234
IUPAC Name	2-pyrazin-2-ylpropanedial
Molecular Formula	C7H6N2O2
Molecular Weight	150.13
XLogP	-1.1
Topological Polar Surface Area	59.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	141

SMILES

C1=CN=C(C=N1)C(C=O)C=O

InChI

InChI=1S/C7H6N2O2/c10-4-6(5-11)7-3-8-1-2-9-7/h1-6H

InChIKey

JMZSRARKHGBIFL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13481-00-0

CID: 2737234

Formula: C7H6N2O2

MW: 150.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.13
XLogP3	-1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	150.042927438
Monoisotopic Mass	150.042927438
Topological Polar Surface Area	59.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	141
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-310900A	4- (2-Pyrazinyl) -2-pyrimidinamine
sc-310900	4- (2-Pyrazinyl) -2-pyrimidinamine
sc-298047A	2- (2-Nitrophenyl) malondialdehyde
sc-259339	2- (Phenyl) malondialdehyde
sc-259339A	2- (Phenyl) malondialdehyde
sc-259135	2- (2-Benzoxazolyl) malondialdehyde
sc-304886	2- (2-Pyridyl) malondialdehyde
sc-304891A	2- (2-Quinoxalinyl) malondialdehyde
sc-259135A	2- (2-Benzoxazolyl) malondialdehyde
sc-298052A	2- (2-Quinolyl) malondialdehyde

Catalog	Name
TRC-N545413-500MG	2-(2-Nitrophenyl)malondialdehyde
OR7618-01	2- (2-Benzoxazolyl) malondialdehyde
QCA19228	2- (4-Methoxyphenyl) malondialdehyde
OR4778-01	(Pyrazin-2-yl) malondialdehyde
OR7620-01	2- (3-Bromophenyl) malondialdehyde
OR7638-01	2- (4-Ethoxyphenyl) malondialdehyde
ZIB02124	2- (3-Methylphenyl) malondialdehyde
JDB64868	2- (4-Bromophenyl) malondialdehyde
OR7628-01	2- (3-Chlorophenyl) malondialdehyde
TAA91553	2- (4-Nitrophenyl) malondialdehyde