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M-Cresol extrapure AR, 99%

CAT: 0565-48620Size: 500 mLDry Ice: NoHazardous: No
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CAT#:0565-48620Size:500 mL
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Description
Part A
CAS Number
108-39-4
UN Code
UN No.: 2076, IMCO Class No.: 6.1 (8), Packing Group: II
Storage Temperature
Room Temperature

Chemical Information

M-Cresol

M-cresol is a cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene. It has a role as a human xenobiotic metabolite.

CAS Number108-39-4
PubChem CID342
IUPAC Name3-methylphenol
Molecular FormulaC7H8O
Molecular Weight108.14
XLogP2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity70
SMILES
CC1=CC(=CC=C1)O
InChI
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChIKey
RLSSMJSEOOYNOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of M-Cresol
CAS: 108-39-4
CID: 342
Formula: C7H8O
MW: 108.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight108.14
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass108.057514874
Monoisotopic Mass108.057514874
Topological Polar Surface Area20.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity70.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes