Alectinib Impurity 16

CAT: 1299-RM-A329016-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A329016-02Size:25 mg

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

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CAS Number

1256584-72-1

Synonyms

2-methyl-2- (4-vinylphenyl) propanoic acid

Molecular Formula

C12H14O2

Molecular Weight

190.24

Target Alternative Name

Alectinib

Product Name Synonym

2-methyl-2- (4-vinylphenyl) propanoic acid

Chemical Information

2-Methyl-2-(4-vinylphenyl)propanoic acid

CAS Number	1256584-72-1
PubChem CID	66834551
IUPAC Name	2-(4-ethenylphenyl)-2-methylpropanoic acid
Molecular Formula	C12H14O2
Molecular Weight	190.24
XLogP	3.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	222

SMILES

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

InChI

InChI=1S/C12H14O2/c1-4-9-5-7-10(8-6-9)12(2,3)11(13)14/h4-8H,1H2,2-3H3,(H,13,14)

InChIKey

XDMQQLNDUWSLSK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1256584-72-1

CID: 66834551

Formula: C12H14O2

MW: 190.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.24
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	190.099379685
Monoisotopic Mass	190.099379685
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	222
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