Name: Name:3,5-DI-TERT-BUTYL-4-HYDROXYCINNAMIC ACID
Brand: Angene
SKU: AG003IPP
Rating: 90 (10 reviews)

3,5-DI-TERT-BUTYL-4-HYDROXYCINNAMIC ACID

CAS No.:

22014-01-3

Catalog Number:

AG003IPP

Molecular Formula:

C17H24O3

Molecular Weight:

276.3707

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Product Description

Catalog Number:

AG003IPP

Chemical Name:

3,5-DI-TERT-BUTYL-4-HYDROXYCINNAMIC ACID

CAS Number:

22014-01-3

Molecular Formula:

C17H24O3

Molecular Weight:

276.3707

MDL Number:

MFCD06205422

IUPAC Name:

(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid

InChI:

InChI=1S/C17H24O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h7-10,20H,1-6H3,(H,18,19)/b8-7+

InChI Key:

CTYWXRDQWMRIIM-BQYQJAHWSA-N

SMILES:

OC(=O)/C=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

UNII:

K7ZJ1M9J5T

NSC Number:

226266

Properties

Complexity:

347

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

276.173g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

276.376g/mol

Monoisotopic Mass:

276.173g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.9

Literature

Title	Journal
Isolation, identification, and biological evaluation of HIF-1-modulating compounds from Brazilian green propolis.	Bioorganic & medicinal chemistry 20110915
Design, synthesis and pharmacobiological evaluation of novel acrylic acid derivatives acting as lipoxygenase and cyclooxygenase-1 inhibitors with antioxidant and anti-inflammatory activities.	European journal of medicinal chemistry 20110101

Properties