Name: Name:Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
Brand: Angene
SKU: AG003APB
Rating: 90 (10 reviews)

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester

CAS No.:

26347-98-8

Catalog Number:

AG003APB

Molecular Formula:

C22H36O6

Molecular Weight:

396.5176

Catalog Number:

AG003APB

Chemical Name:

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester

CAS Number:

26347-98-8

Molecular Formula:

C22H36O6

Molecular Weight:

396.5176

IUPAC Name:

[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

InChI:

InChI=1S/C22H36O6/c1-20(2,3)16-9-15(10-17(19(16)27)21(4,5)6)7-8-18(26)28-14-22(11-23,12-24)13-25/h9-10,23-25,27H,7-8,11-14H2,1-6H3

InChI Key:

RQYISMPLEFNMLU-UHFFFAOYSA-N

SMILES:

OCC(COC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(CO)CO

UNII:

A8VXR0397K

Complexity:

454

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

396.251g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

396.524g/mol

Monoisotopic Mass:

396.251g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1