m-Cresol-d7

CAT: 0572-TRC-C781917-50MGSize: 50 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-C781917-50MGSize:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

202325-51-7

Synonyms

3-Methylphenol-d7; 1-Hydroxy-3-methylbenzene-d7; 3-Hydroxytoluene-d7; 3-Methylphenol-d7; NSC 8768-d7; m-Cresylic Acid-d7; m-Hydroxytoluene-d7; m-Kresol-d7; m-Methylphenol-d7; m-Oxytoluene-d7; m-Toluol-d7; meta-Cresol-d7

Hazard Statement

Combustible liquid and vapour; UN number: UN2076; Packing Group: II

Purity

>95% (HPLC)

Smiles

[2H]c1c([2H])c(O)c([2H])c(c1[2H])C([2H])([2H])[2H]

Molecular Formula

C7 D7 H O

Molecular Weight

115.18

InChI

InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3/i1D3,2D,3D,4D,5D

Additionnal Information

IUPAC name: 2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenol

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

M-Cresol-D7

CAS Number	202325-51-7
PubChem CID	90470947
IUPAC Name	2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenol
Molecular Formula	C7H8O
Molecular Weight	115.18
XLogP	2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	70

SMILES

[2H]C1=C(C(=C(C(=C1[2H])O)[2H])C([2H])([2H])[2H])[2H]

InChI

InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3/i1D3,2D,3D,4D,5D

InChIKey

RLSSMJSEOOYNOY-AAYPNNLASA-N

Chemical Structure

2D Structure

CAS: 202325-51-7

CID: 90470947

Formula: C7H8O

MW: 115.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	115.18
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	115.101452096
Monoisotopic Mass	115.101452096
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	70.8
Isotope Atom Count	7
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

Related Products

Catalog	Name
TRC-C781913-250MG	o-Cresol-d7
TRC-C781913-25MG	o-Cresol-d7
TRC-C781902-25MG	p-Cresol-d7
TRC-C781902-10MG	p-Cresol-d7
TRC-C781902-100MG	p-Cresol-d7
TRC-C782007-10MG	p-Cresol Glucuronide-d7
TRC-C782007-2.5MG	p-Cresol Glucuronide-d7
TRC-C782007-25MG	p-Cresol Glucuronide-d7
TRC-C781982-1MG	p-Cresol Rutinoside-d7 (major)
TRC-C781915-250G	m-Cresol

Alternative Products

Catalog	Name
454070-01	M-Cresol-d7
165785-01	P-Cresol-d7
165688	O-Cresol-d7
165784-01	P-Cresol Glucuronide-d7
HY-W725462	P-Cresol Rutinoside-d7
HY-111431AS	P-Cresol sulfate-d7 (potassium)
sc-219434	O-Cresol-d7 β-D-Glucuronide
CS-O-05550	M-Cresol
027820-01	M -Cresol
AR-C08424-01	O-Cresol-d7 beta-D-Glucuronide

m-Cresol-d7

Chemical Information

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