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1263207-37-9 | 1H-Pyrazole-3-carboxylic acid, 1-(2-amino-2-oxoethyl)-5-methoxy-
CAS No: 1263207-37-9 Catalog No: AG000SK6 MDL No:MFCD18324072
Product Description
Catalog Number:
AG000SK6
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-(2-amino-2-oxoethyl)-5-methoxy-
CAS Number:
1263207-37-9
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
MDL Number:
MFCD18324072
IUPAC Name:
1-(2-amino-2-oxoethyl)-5-methoxypyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H9N3O4/c1-14-6-2-4(7(12)13)9-10(6)3-5(8)11/h2H,3H2,1H3,(H2,8,11)(H,12,13)
InChI Key:
TWMVYSRIPHSOEX-UHFFFAOYSA-N
SMILES:
COc1cc(nn1CC(=O)N)C(=O)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.166g/mol
Monoisotopic Mass:
199.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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