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139297-51-1 | 1H-Pyrazole-3-carboxylic acid, 5-methoxy-1-methyl-
CAS No: 139297-51-1 Catalog No: AG001AOL MDL No:MFCD13175000
Product Description
Catalog Number:
AG001AOL
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-methoxy-1-methyl-
CAS Number:
139297-51-1
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
MDL Number:
MFCD13175000
IUPAC Name:
5-methoxy-1-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H8N2O3/c1-8-5(11-2)3-4(7-8)6(9)10/h3H,1-2H3,(H,9,10)
InChI Key:
SXCXVIBZRADHQB-UHFFFAOYSA-N
SMILES:
COc1cc(nn1C)C(=O)O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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