200,000+ products from a single source!
sales@angenechem.com
132866-07-0 | 1,2-Octanediol, 8-(2-octylcyclopropyl)-, 1,2-dibenzoate
CAS No: 132866-07-0 Catalog No: AG0011AG MDL No:
Product Description
Catalog Number:
AG0011AG
Chemical Name:
1,2-Octanediol, 8-(2-octylcyclopropyl)-, 1,2-dibenzoate
CAS Number:
132866-07-0
Molecular Formula:
C33H46O4
Molecular Weight:
506.7159
IUPAC Name:
benzoic acid;8-(2-octylcyclopropyl)octane-1,2-diol
InChI:
InChI=1S/C19H38O2.2C7H6O2/c1-2-3-4-5-6-9-12-17-15-18(17)13-10-7-8-11-14-19(21)16-20;2*8-7(9)6-4-2-1-3-5-6/h17-21H,2-16H2,1H3;2*1-5H,(H,8,9)
InChI Key:
IMYXXBUVBFBXBY-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1CC1CCCCCCC(OC(=O)c1ccccc1)COC(=O)c1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
542.361g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
542.757g/mol
Monoisotopic Mass:
542.361g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.