200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 854858-95-0
854858-95-0 | 3-METHYL-5-OXO-5-(2,4,6-TRIMETHYLPHENYL)VALERIC ACID
CAS No: 854858-95-0 Catalog No: AG004JQI MDL No:
Product Description
Catalog Number:
AG004JQI
Chemical Name:
3-METHYL-5-OXO-5-(2,4,6-TRIMETHYLPHENYL)VALERIC ACID
CAS Number:
854858-95-0
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
IUPAC Name:
3-methyl-5-oxo-5-(2,4,6-trimethylphenyl)pentanoic acid
InChI:
InChI=1S/C15H20O3/c1-9-5-11(3)15(12(4)6-9)13(16)7-10(2)8-14(17)18/h5-6,10H,7-8H2,1-4H3,(H,17,18)
InChI Key:
IJUODTUTUJVAFV-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1c(C)cc(cc1C)C)CC(=O)O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.322g/mol
Monoisotopic Mass:
248.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.