200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113786-06-4
113786-06-4 | 3H-Pyrazol-3-one, 1,2-dihydro-1-[4-(hydroxymethyl)phenyl]-4-methyl-
CAS No: 113786-06-4 Catalog No: AG0009O6 MDL No:
Product Description
Catalog Number:
AG0009O6
Chemical Name:
3H-Pyrazol-3-one, 1,2-dihydro-1-[4-(hydroxymethyl)phenyl]-4-methyl-
CAS Number:
113786-06-4
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
2-[4-(hydroxymethyl)phenyl]-4-methyl-1H-pyrazol-5-one
InChI:
InChI=1S/C11H12N2O2/c1-8-6-13(12-11(8)15)10-4-2-9(7-14)3-5-10/h2-6,14H,7H2,1H3,(H,12,15)
InChI Key:
INVZMHFDPIWXPW-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)n1cc(c(=O)[nH]1)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.