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1263211-61-5 | 1H-Pyrazole-3-carboxylic acid, 5-methoxy-1-(2-methoxyethyl)-
CAS No: 1263211-61-5 Catalog No: AG000SK4 MDL No:MFCD18324073
Product Description
Catalog Number:
AG000SK4
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-methoxy-1-(2-methoxyethyl)-
CAS Number:
1263211-61-5
Molecular Formula:
C8H12N2O4
Molecular Weight:
200.1919
MDL Number:
MFCD18324073
IUPAC Name:
5-methoxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H12N2O4/c1-13-4-3-10-7(14-2)5-6(9-10)8(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChI Key:
VOAHOFQSZSDVCJ-UHFFFAOYSA-N
SMILES:
COc1cc(nn1CCOC)C(=O)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.194g/mol
Monoisotopic Mass:
200.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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