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17827-61-1

17827-61-1 | 1H-Pyrazole-3-carboxylic acid, 1-methyl-, methyl ester

CAS No: 17827-61-1 Catalog No: AG0025WP MDL No:MFCD04967358

Product Description

Catalog Number:
AG0025WP
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-methyl-, methyl ester
CAS Number:
17827-61-1
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD04967358
IUPAC Name:
methyl 1-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C6H8N2O2/c1-8-4-3-5(7-8)6(9)10-2/h3-4H,1-2H3
InChI Key:
WUUOFOYBXXQAGD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccn(n1)C

Properties

Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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