3- (Allyl) toluene

CAT: 0127-OR01912Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR01912Size:1 Each

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CAS Number

3333-20-8

Synonyms

1-Methyl-3-prop-2-enylbenzene, 3- (3-Methylphenyl) prop-1-ene

MDL Number

MFCD01319553

Purity

=95%

Smiles

Cc1cccc(CC=C)c1

Chemical Information

1-Allyl-3-methylbenzene

CAS Number	3333-20-8
PubChem CID	523709
IUPAC Name	1-methyl-3-prop-2-enylbenzene
Molecular Formula	C10H12
Molecular Weight	132.20
XLogP	3.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	105

SMILES

CC1=CC(=CC=C1)CC=C

InChI

InChI=1S/C10H12/c1-3-5-10-7-4-6-9(2)8-10/h3-4,6-8H,1,5H2,2H3

InChIKey

JVQAREFZPKBHPG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3333-20-8

CID: 523709

Formula: C10H12

MW: 132.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	132.20
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	132.093900383
Monoisotopic Mass	132.093900383
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105
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

Catalog	Name
PC6982-01	3- (Trifluoromethoxy) toluene
BUP17214-01	3- (Methylamino) toluene
PC49718-01	3- (Difluoromethoxy) toluene
OR01919	3- (2-Methylallyl) toluene
OR15976	Toluene-2,3-dicarboxaldehyde
OR93655-01	Allyl 3-cyclohexylpropanoate
OR95382-01	Allyl 3-oxobutanoate
OR01913	3- (But-3-en-1-yl) toluene
PC1007584-01	4-Bromo-3- (trifluoromethoxy) toluene
OR1052268-01	3-Bromo-4- (methylthio) toluene