Propofol Impurity 35

CAT: 1596-AR-P33003-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P33003-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

83420-68-2

Molecular Formula

C25H36O2

Molecular Weight

368.56

API Name

Propofol

Chemical Information

Bis(2,6-diisopropylphenoxy)methane

CAS Number	83420-68-2
PubChem CID	13075695
IUPAC Name	2-[[2,6-di(propan-2-yl)phenoxy]methoxy]-1,3-di(propan-2-yl)benzene
Molecular Formula	C25H36O2
Molecular Weight	368.6
XLogP	8.2
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	345

SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)OCOC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C25H36O2/c1-16(2)20-11-9-12-21(17(3)4)24(20)26-15-27-25-22(18(5)6)13-10-14-23(25)19(7)8/h9-14,16-19H,15H2,1-8H3

InChIKey

YICPALUFXKSCFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 83420-68-2

CID: 13075695

Formula: C25H36O2

MW: 368.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	368.6
XLogP3	8.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	368.271530387
Monoisotopic Mass	368.271530387
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	345
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