200,000+ products from a single source!
sales@angenechem.com
102447-89-2 | 1,3-Propanediol, 2-methyl-2-propyl-, 1,3-dibenzoate
CAS No: 102447-89-2 Catalog No: AG0007IS MDL No:
Product Description
Catalog Number:
AG0007IS
Chemical Name:
1,3-Propanediol, 2-methyl-2-propyl-, 1,3-dibenzoate
CAS Number:
102447-89-2
Molecular Formula:
C21H24O4
Molecular Weight:
340.4129
IUPAC Name:
benzoic acid;2-methyl-2-propylpropane-1,3-diol
InChI:
InChI=1S/2C7H6O2.C7H16O2/c2*8-7(9)6-4-2-1-3-5-6;1-3-4-7(2,5-8)6-9/h2*1-5H,(H,8,9);8-9H,3-6H2,1-2H3
InChI Key:
LSAQYTUVIYVPDI-UHFFFAOYSA-N
SMILES:
CCCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.189g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
376.449g/mol
Monoisotopic Mass:
376.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.