200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 74774-55-3
74774-55-3 | Benzoic acid, 4,4'-[1,7-heptanediylbis(oxy)]bis-
CAS No: 74774-55-3 Catalog No: AG005HA1 MDL No:
Product Description
Catalog Number:
AG005HA1
Chemical Name:
Benzoic acid, 4,4'-[1,7-heptanediylbis(oxy)]bis-
CAS Number:
74774-55-3
Molecular Formula:
C21H24O6
Molecular Weight:
372.4117
IUPAC Name:
4-[7-(4-carboxyphenoxy)heptoxy]benzoic acid
InChI:
InChI=1S/C21H24O6/c22-20(23)16-6-10-18(11-7-16)26-14-4-2-1-3-5-15-27-19-12-8-17(9-13-19)21(24)25/h6-13H,1-5,14-15H2,(H,22,23)(H,24,25)
InChI Key:
KYUMFUHAEPSERT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)OCCCCCCCOc1ccc(cc1)C(=O)O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.157g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.417g/mol
Monoisotopic Mass:
372.157g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.