200,000+ products from a single source!
sales@angenechem.com
1228552-85-9 | 1H-Pyrazole-3-carboxylic acid, 4-amino-1-methyl-, ethyl ester
CAS No: 1228552-85-9 Catalog No: AG000JMH MDL No:MFCD16618430
Product Description
Catalog Number:
AG000JMH
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-amino-1-methyl-, ethyl ester
CAS Number:
1228552-85-9
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD16618430
IUPAC Name:
ethyl 4-amino-1-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C7H11N3O2/c1-3-12-7(11)6-5(8)4-10(2)9-6/h4H,3,8H2,1-2H3
InChI Key:
CTLKSFPCZVBSFK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(cc1N)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.