200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1005615-03-1
1005615-03-1 | Benzoic acid, 3-(4-ethyl-5-hydroxy-3-methyl-1H-pyrazol-1-yl)-
CAS No: 1005615-03-1 Catalog No: AG0002C7 MDL No:MFCD06196623
Product Description
Catalog Number:
AG0002C7
Chemical Name:
Benzoic acid, 3-(4-ethyl-5-hydroxy-3-methyl-1H-pyrazol-1-yl)-
CAS Number:
1005615-03-1
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD06196623
IUPAC Name:
3-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid
InChI:
InChI=1S/C13H14N2O3/c1-3-11-8(2)14-15(12(11)16)10-6-4-5-9(7-10)13(17)18/h4-7,14H,3H2,1-2H3,(H,17,18)
InChI Key:
MNVBYWBXIYJNGA-UHFFFAOYSA-N
SMILES:
CCc1c(C)nn(c1O)c1cccc(c1)C(=O)O
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.