4-Hydroxyphthalic acid

CAT: 0127-OR59816-04Size: 500 gDry Ice: NoHazardous: No

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CAT#:0127-OR59816-04Size:500 g

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CAS Number

610-35-5

Synonyms

3,4-Dicarboxyphenol, 4-Hydroxy-1,2-benzenedicarboxylic acid

MDL Number

MFCD00013984

Purity

98%

Smiles

OC(=O)c1ccc(O)cc1C(=O)O

Chemical Information

4-Hydroxyphthalic acid

4-hydroxyphthalic acid is a hydroxybenzoic acid that is phthalic acid in which the hydrogen at position 4 is substituted by a hydroxy group. It is a hydroxybenzoic acid and a member of phenols. It is functionally related to a phthalic acid.

CAS Number	610-35-5
PubChem CID	11881
IUPAC Name	4-hydroxyphthalic acid
Molecular Formula	C8H6O5
Molecular Weight	182.13
XLogP	1
Topological Polar Surface Area	94.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	225

SMILES

C1=CC(=C(C=C1O)C(=O)O)C(=O)O

InChI

InChI=1S/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)

InChIKey

MWRVRCAFWBBXTL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 610-35-5

CID: 11881

Formula: C8H6O5

MW: 182.13

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	182.13
XLogP3	1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	182.02152329
Monoisotopic Mass	182.02152329
Topological Polar Surface Area	94.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	225
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
279672-01	4-Hydroxyphthalic acid
H16965-01	4-Hydroxyphthalic acid 98%
M2952-64	4-Mercaptophenylbutyric Acid (4- (4-Mercaptophenyl) butyric Acid)
MBS6028591-01	4-Mercaptophenylbutyric Acid (4-(4-Mercaptophenyl)butyric Acid)
sc-277680	4,4,4-Trichlorobutyric acid
108847-20-8-01	Dibenzothiophene-4-boronic acid; 4-DIBENZOTHIENYLBORONIC ACID
sc-262191	4,4,4-Trifluorobutyric acid
FD54832-01	4,4'-Dibenzoic acid
FD22559-01	4,4'-Dithiobisbenzoic acid
433558-01	4,4'-Biphenyldiboronic acid

4-Hydroxyphthalic acid

Chemical Information

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