200,000+ products from a single source!
sales@angenechem.com
825619-54-3 | 1H-Pyrazole-5-carboxylic acid, 4-(1,1-dimethylethyl)-1-phenyl-
CAS No: 825619-54-3 Catalog No: AG005DTS MDL No:
Product Description
Catalog Number:
AG005DTS
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 4-(1,1-dimethylethyl)-1-phenyl-
CAS Number:
825619-54-3
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
IUPAC Name:
4-tert-butyl-2-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C14H16N2O2/c1-14(2,3)11-9-15-16(12(11)13(17)18)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,18)
InChI Key:
VOLYJCFUOHBYRI-UHFFFAOYSA-N
SMILES:
OC(=O)c1n(ncc1C(C)(C)C)c1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.