Benzenepentacarboxylic Acid

CAT: 0127-OR1025181-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1025181-01Size:250 mg

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CAS Number

1585-40-6

Synonyms

Benzene-1,2,3,4,5-pentacarboxylic acid

Purity

98%

Smiles

C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Chemical Information

Benzenepentacarboxylic Acid

RN given refers to parent cpd

CAS Number	1585-40-6
PubChem CID	15314
IUPAC Name	benzene-1,2,3,4,5-pentacarboxylic acid
Molecular Formula	C11H6O10
Molecular Weight	298.16
XLogP	-0.4
Topological Polar Surface Area	187
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	471

SMILES

C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C11H6O10/c12-7(13)2-1-3(8(14)15)5(10(18)19)6(11(20)21)4(2)9(16)17/h1H,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21)

InChIKey

QNSOHXTZPUMONC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1585-40-6

CID: 15314

Formula: C11H6O10

MW: 298.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.16
XLogP3	-0.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	297.99609638
Monoisotopic Mass	297.99609638
Topological Polar Surface Area	187 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	471
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

Catalog	Name
OR1071368-01	Acid-apeg6-acid
BIFK0050-01	Carnosic Acid, Free Acid
BIM1576-01	Okadaic acid, free acid
BIF6400-01	Fusidic acid, free acid
BIPG1004-01	Acid-PEG2-SS-PEG2-Acid
BIPG1007-01	Acid-PEG6-SS-PEG6-Acid
BIPG1005-01	Acid-PEG3-SS-PEG3-Acid
OR1076924-01	Chenodeoxycholic Acid Impurity 1; Allochenodeoxycholic Acid
BIPG1006-01	Acid-PEG4-S-S-PEG4-Acid
PC6840	Tetrafluorophthalic acid

Catalog	Name
sc-487468	Benzenepentacarboxylic Acid
A13012-100	Benzenepentacarboxylic Acid 100mg
HY-100512R	Benzenepentacarboxylic Acid (Standard)
A13012-500	Benzenepentacarboxylic Acid 500mg
A13012-10mM-D	Benzenepentacarboxylic Acid 10mM * 1mL in DMSO
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
OL1198	Okadaic acid, free acid
011628	Ethylenediaminediacetic Acid Dipropionic Acid