200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 16094-35-2
16094-35-2 | Benzoic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)-
CAS No: 16094-35-2 Catalog No: AG001VII MDL No:
Product Description
Catalog Number:
AG001VII
Chemical Name:
Benzoic acid, 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)-
CAS Number:
16094-35-2
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)benzoic acid
InChI:
InChI=1S/C15H22O3/c1-14(2,3)9-15(4,5)10-6-7-12(16)11(8-10)13(17)18/h6-8,16H,9H2,1-5H3,(H,17,18)
InChI Key:
MFSJUURIAOOSJR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1O)C(CC(C)(C)C)(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.