CAS 70022-13-8 | Benzoic acid,3,4,5-trihydroxy-, phenyl ester | CAS Number 70022-13-8

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70022-13-8 | Benzoic acid,3,4,5-trihydroxy-, phenyl ester

CAS No: 70022-13-8 Catalog No: AG005GC0 MDL No:

Product Description

Catalog Number:

AG005GC0

Chemical Name:

Benzoic acid,3,4,5-trihydroxy-, phenyl ester

CAS Number:

70022-13-8

Molecular Formula:

C13H10O5

Molecular Weight:

246.2155

IUPAC Name:

phenyl 3,4,5-trihydroxybenzoate

InChI:

InChI=1S/C13H10O5/c14-10-6-8(7-11(15)12(10)16)13(17)18-9-4-2-1-3-5-9/h1-7,14-16H

InChI Key:

HBZMQFJTPHSKNH-UHFFFAOYSA-N

SMILES:

O=C(c1cc(O)c(c(c1)O)O)Oc1ccccc1

NSC Number:

333571

Properties

Complexity:

275

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.218g/mol

Monoisotopic Mass:

246.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Mangifera indica (mango).	Pharmacognosy reviews 20100101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501