200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1250787-61-1
1250787-61-1 | 1H-Pyrazole-4-acetic acid, 1-methyl-, ethyl ester
CAS No: 1250787-61-1 Catalog No: AG000N3L MDL No:
Product Description
Catalog Number:
AG000N3L
Chemical Name:
1H-Pyrazole-4-acetic acid, 1-methyl-, ethyl ester
CAS Number:
1250787-61-1
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
IUPAC Name:
ethyl 2-(1-methylpyrazol-4-yl)acetate
InChI:
InChI=1S/C8H12N2O2/c1-3-12-8(11)4-7-5-9-10(2)6-7/h5-6H,3-4H2,1-2H3
InChI Key:
IRQDCFLSECOAME-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cnn(c1)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.