Propofol Impurity M

CAT: 1299-RM-P160613-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P160613-02Size:25 mg

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CAS Number

92035-95-5

Synonyms

2,6-Diisopropyl-benzoic Acid; 2,6-Diisopropylbenzoic acid

Molecular Formula

C13H18O2

Molecular Weight

206.28

Target Alternative Name

Propofol

Product Name Synonym

2,6-Diisopropyl-benzoic Acid; 2,6-Diisopropylbenzoic acid

Chemical Information

2,6-Diisopropylbenzoic acid

CAS Number	92035-95-5
PubChem CID	11958990
IUPAC Name	2,6-di(propan-2-yl)benzoic acid
Molecular Formula	C13H18O2
Molecular Weight	206.28
XLogP	3.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	205

SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)C(=O)O

InChI

InChI=1S/C13H18O2/c1-8(2)10-6-5-7-11(9(3)4)12(10)13(14)15/h5-9H,1-4H3,(H,14,15)

InChIKey

AGBGSHYCQQNNEH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 92035-95-5

CID: 11958990

Formula: C13H18O2

MW: 206.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.28
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	206.130679813
Monoisotopic Mass	206.130679813
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	205
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