200,000+ products from a single source!
sales@angenechem.com
136527-23-6 | 3,4,9,10-Perylenetetracarboxylic acid, 3,4,9,10-tetracyclohexyl ester
CAS No: 136527-23-6 Catalog No: AG0011Y8 MDL No:
Product Description
Catalog Number:
AG0011Y8
Chemical Name:
3,4,9,10-Perylenetetracarboxylic acid, 3,4,9,10-tetracyclohexyl ester
CAS Number:
136527-23-6
Molecular Formula:
C48H52O8
Molecular Weight:
756.9217
IUPAC Name:
tetracyclohexyl perylene-3,4,9,10-tetracarboxylate
InChI:
InChI=1S/C48H52O8/c49-45(53-29-13-5-1-6-14-29)37-25-21-33-35-23-27-39(47(51)55-31-17-9-3-10-18-31)44-40(48(52)56-32-19-11-4-12-20-32)28-24-36(42(35)44)34-22-26-38(43(37)41(33)34)46(50)54-30-15-7-2-8-16-30/h21-32H,1-20H2
InChI Key:
VLTMKCANMFQSIE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c3c1c(ccc3c1c3c2ccc(c3c(cc1)C(=O)OC1CCCCC1)C(=O)OC1CCCCC1)C(=O)OC1CCCCC1)OC1CCCCC1
Properties
Complexity:
1180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
756.366g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
756.936g/mol
Monoisotopic Mass:
756.366g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.