O-Cresol

CAT: 1596-AR-B05679-02Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-B05679-02Size:150

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CAS Number

95-48-7

Synonyms

O-cresol; 2-Methylphenol

Molecular Formula

C7H8O

Molecular Weight

108.14

API Name

Bupranolol

Chemical Information

O-Cresol

O-cresol is a cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene. It has a role as a human xenobiotic metabolite.

CAS Number	95-48-7
PubChem CID	335
IUPAC Name	2-methylphenol
Molecular Formula	C7H8O
Molecular Weight	108.14
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

CC1=CC=CC=C1O

InChI

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

InChIKey

QWVGKYWNOKOFNN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 95-48-7

CID: 335

Formula: C7H8O

MW: 108.14

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	108.14
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	108.057514874
Monoisotopic Mass	108.057514874
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	70.8
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

Related Products

Catalog	Name
AR-T02587-01	P-Cresol
AR-P01587-01	M-Cresol
AR-B05680	P-Cresol
AR-C08426-01	P-Cresol Glucuronide
AR-M03098-01	4-Amino-m-cresol
AR-C08425-01	Di-tert-Butyl-m-Cresol
AR-P29749-01	M-Cresol-4-sulfonic Acid
AR-P29747-01	M-Cresol-6-sulfonic Acid
AR-C08422-01	Ammonium m-Cresol-4-Sulfonate
AR-C03694-01	Ammonium m-Cresol-4-Sulfonate

Alternative Products

Catalog	Name
MBS3842529-01	o-Cresol
269195-01	O-Cresol discontinued
165687	O-Cresol-13C6
C26120-01	O-Cresol 98%
CIA32550-01	O-Cresol-d7
HY-156199	O-Cresol sulfate
sc-228856	O-Cresol-d8
LC-1600.2	O-Cresol pure
A17823-500	O-Cresol 500mg

O-Cresol

Chemical Information

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