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1934424-33-5

1934424-33-5 | 3-(6-methylpyridazin-3-yl)prop-2-ynoic acid

CAS No: 1934424-33-5 Catalog No: AG01ADXB MDL No:MFCD31420644

Product Description

Catalog Number:
AG01ADXB
Chemical Name:
3-(6-methylpyridazin-3-yl)prop-2-ynoic acid
CAS Number:
1934424-33-5
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD31420644
IUPAC Name:
3-(6-methylpyridazin-3-yl)prop-2-ynoic acid
InChI:
InChI=1S/C8H6N2O2/c1-6-2-3-7(10-9-6)4-5-8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
AXGMACBOZJMHKR-UHFFFAOYSA-N
SMILES:
Cc1ccc(nn1)C#CC(=O)O

Properties

Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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