Copper (I) 2-Hydroxy-3-Methylbenzoate

CAT: 0127-IN11871-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-IN11871-01Size:1 g

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CAS Number

326477-70-7

Synonyms

2-carboxy-6-methylphenolate; copper (1+)

Purity

95%

Smiles

CC1=C(C(=CC=C1)C(=O)O)[O-].[Cu+]

Chemical Information

Copper(1+) 2-carboxy-6-methylphenolate

CAS Number	326477-70-7
PubChem CID	54685145
IUPAC Name	2-carboxy-6-methylphenolate;copper(1+)
Molecular Formula	C8H7CuO3
Molecular Weight	214.68
Topological Polar Surface Area	60.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	155

SMILES

CC1=C(C(=CC=C1)C(=O)O)[O-].[Cu+]

InChI

InChI=1S/C8H8O3.Cu/c1-5-3-2-4-6(7(5)9)8(10)11;/h2-4,9H,1H3,(H,10,11);/q;+1/p-1

InChIKey

CPPQOSMKJDPRID-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 326477-70-7

CID: 54685145

Formula: C8H7CuO3

MW: 214.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.68
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	213.969116
Monoisotopic Mass	213.969116
Topological Polar Surface Area	60.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155
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	2
Compound Is Canonicalized	Yes

Catalog	Name
OR912132-01	Methyl 3-hydroxy-2-methylbenzoate
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OR75882-01	Ethyl 3-hydroxy-2-methylbenzoate
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PC1010779-01	Methyl 5-fluoro-3-hydroxy-2-methylbenzoate
OR1099680	Methyl 5-bromo-2-hydroxy-3-methylbenzoate
OR1087149	Methyl 3-bromo-5-hydroxy-2-methylbenzoate
OR1007471-01	Methyl 5-bromo-3-hydroxy-2-methylbenzoate
OR1032538-01	Methyl 4-allyl-3-hydroxy-2-methylbenzoate
OR79691-01	Methyl 4-bromo-3-hydroxy-2-methylbenzoate

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