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P-Cymene

CAT: 0926-FC36678-02Size: 2 KgDry Ice: NoHazardous: No
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CAT#:0926-FC36678-02Size:2 Kg
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CAS Number
99-87-6
MDL Number
MFCD00008893
Smiles
CC1=CC=C (C=C1) C (C) C
Molecular Formula
C10H14
Molecular Weight
134.22 g/mol
Controlled
No

Chemical Information

P-Cymene

P-cymene is a monoterpene that is toluene substituted by an isopropyl group at position 4. It has a role as a volatile oil component, a plant metabolite and a human urinary metabolite. It is a member of toluenes and a monoterpene.

CAS Number99-87-6
PubChem CID7463
IUPAC Name1-methyl-4-propan-2-ylbenzene
Molecular FormulaC10H14
Molecular Weight134.22
XLogP4.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity86
SMILES
CC1=CC=C(C=C1)C(C)C
InChI
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey
HFPZCAJZSCWRBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of P-Cymene
CAS: 99-87-6
CID: 7463
Formula: C10H14
MW: 134.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.22
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass134.109550447
Monoisotopic Mass134.109550447
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity86.2
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

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Alternative Products

CatalogName
MBS3610180P-Cymene
461834-01P-Cymene discontinued
058385P-Cymene for Synthesis
D01476-01Dehydro-p-cymene
sc-2305902-Nitro-p-cymene
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