GSK963 100mg

CAT: 0628-A18346-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A18346-100Size:100 mg

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

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CAS Number

2049868-46-2

Chemical Information

(S)-2,2-Dimethyl-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one

CAS Number	2049868-46-2
PubChem CID	122703613
IUPAC Name	2,2-dimethyl-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
Molecular Formula	C14H18N2O
Molecular Weight	230.31
XLogP	2.1
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	311

SMILES

CC(C)(C)C(=O)N1[C@@H](CC=N1)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2O/c1-14(2,3)13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t12-/m0/s1

InChIKey

NJQVSLWJBLPTMD-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 2049868-46-2

CID: 122703613

Formula: C14H18N2O

MW: 230.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.31
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	230.141913202
Monoisotopic Mass	230.141913202
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	311
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes