200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 139056-14-7
139056-14-7 | Benzoic acid, 4-butoxy-, 4-[(3-methylbutoxy)carbonyl]phenyl ester
CAS No: 139056-14-7 Catalog No: AG001A3I MDL No:
Product Description
Catalog Number:
AG001A3I
Chemical Name:
Benzoic acid, 4-butoxy-, 4-[(3-methylbutoxy)carbonyl]phenyl ester
CAS Number:
139056-14-7
Molecular Formula:
C23H28O5
Molecular Weight:
384.4654
IUPAC Name:
[4-(3-methylbutoxycarbonyl)phenyl] 4-butoxybenzoate
InChI:
InChI=1S/C23H28O5/c1-4-5-15-26-20-10-6-19(7-11-20)23(25)28-21-12-8-18(9-13-21)22(24)27-16-14-17(2)3/h6-13,17H,4-5,14-16H2,1-3H3
InChI Key:
FUWLXCGWKSRFMD-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)OCCC(C)C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.194g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.472g/mol
Monoisotopic Mass:
384.194g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.