200,000+ products from a single source!
sales@angenechem.com
115315-95-2 | 1H-Pyrazole-3-carboxylic acid, 1-phenyl-, ethyl ester
CAS No: 115315-95-2 Catalog No: AG000GLS MDL No:MFCD16584325
Product Description
Catalog Number:
AG000GLS
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-phenyl-, ethyl ester
CAS Number:
115315-95-2
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD16584325
IUPAC Name:
ethyl 1-phenylpyrazole-3-carboxylate
InChI:
InChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-9-14(13-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChI Key:
HNQSUSPWELMLBU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccn(n1)c1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.