200,000+ products from a single source!
sales@angenechem.com
141642-17-3 | Benzoic acid, 2-[4-(cyclohexylmethylamino)-2-ethoxybenzoyl]-
CAS No: 141642-17-3 Catalog No: AG001GRW MDL No:
Product Description
Catalog Number:
AG001GRW
Chemical Name:
Benzoic acid, 2-[4-(cyclohexylmethylamino)-2-ethoxybenzoyl]-
CAS Number:
141642-17-3
Molecular Formula:
C23H27NO4
Molecular Weight:
381.4648
IUPAC Name:
2-[4-(cyclohexylmethylamino)-2-ethoxybenzoyl]benzoic acid
InChI:
InChI=1S/C23H27NO4/c1-2-28-21-14-17(24-15-16-8-4-3-5-9-16)12-13-20(21)22(25)18-10-6-7-11-19(18)23(26)27/h6-7,10-14,16,24H,2-5,8-9,15H2,1H3,(H,26,27)
InChI Key:
KKHCIITULJKTMQ-UHFFFAOYSA-N
SMILES:
CCOc1cc(NCC2CCCCC2)ccc1C(=O)c1ccccc1C(=O)O
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.194g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
381.472g/mol
Monoisotopic Mass:
381.194g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.