Toluene AR 99.5%

CAT: 0459-661475-01Size: 25 LDry Ice: NoHazardous: No

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CAT#:0459-661475-01Size:25 L

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CAS Number

108-88-3

Chemical Information

Toluene

Toluene can cause developmental toxicity according to an independent committee of scientific and health experts. It can cause female reproductive toxicity according to California Labor Code.

CAS Number	108-88-3
PubChem CID	1140
IUPAC Name	toluene
Molecular Formula	C7H8
Molecular Weight	92.14
XLogP	2.7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	42

SMILES

CC1=CC=CC=C1

InChI

InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3

InChIKey

YXFVVABEGXRONW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108-88-3

CID: 1140

Formula: C7H8

MW: 92.14

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	92.14
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	92.062600255
Monoisotopic Mass	92.062600255
Topological Polar Surface Area	0 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	42
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

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Toluene AR 99.5%

Chemical Information

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