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2-Protocatechuoyl phloroglucinol carboxylic acid

2-Protocatechuoyl phloroglucinol carboxylic acid structure

CAS No:
30048-34-1
Formula:
C14H10O8
Chemical Name:
2-Protocatechuoyl phloroglucinol carboxylic acid
Synonyms:
Benzoic acid,2-[(3,4-dihydroxybenzoyl)oxy]-4,6-dihydroxy-;Protocatechuic acid,2-ester with 2,4,6-trihydroxybenzoic acid;Benzoic acid,2,4,6-trihydroxy-,2-protocatechuate;2-[(3,4-Dihydroxybenzoyl)oxy]-4,6-dihydroxybenzoic acid;2-Protocatechuoyl phloroglucinolcarboxylate;2-Protocatechuoyl phloroglucinol carboxylic acid;2-(3′,4′-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid

Description

Solid

2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid is the 2-(3,4-dihydroxybenzoyl) derivative of 2,4,6-trihydroxybenzoic acid. A metabolite of quercetin, an abundant flavonoid found in edible vegetables, grains and fruits which is used as an ingredient in supplements, beverages, or foods. It is a dihydroxybenzoic acid and a benzoate ester. It is a conjugate acid of a 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate.

2-Protocatechuoyl phloroglucinol carboxylic acid Basic Attributes

Molecular Weight：

306.22400

Exact Mass：

306.22

DSSTox ID：

DTXSID90184106

HScode：

2918990090

Characteristics

PSA：

144.52000

XLogP3：

1.42640

Density：

1.709g/cm3

Melting Point：

165 °C (decomp)

Boiling Point：

722.2ºC

Flash Point：

277.5ºC

Refractive Index：

1.741

Computed Properties

Molecular Weight:306.22
XLogP3:2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:306.03756727
Monoisotopic Mass:306.03756727
Topological Polar Surface Area:145
Heavy Atom Count:22
Complexity:425
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Protocatechuoyl phloroglucinol carboxylic acid

Description
Basic Attributes
Characteristics
Computed Properties
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