(R) -FlorhydralR

CAT: 0024-sc-212684Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-212684Size:2.5 mg

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CAS Number

457928-60-8

Chemical Information

(R)-FlorhydralR

CAS Number	457928-60-8
PubChem CID	11183112
IUPAC Name	(3R)-3-(3-propan-2-ylphenyl)butanal
Molecular Formula	C13H18O
Molecular Weight	190.28
XLogP	3.1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	174

SMILES

C[C@H](CC=O)C1=CC=CC(=C1)C(C)C

InChI

InChI=1S/C13H18O/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h4-6,8-11H,7H2,1-3H3/t11-/m1/s1

InChIKey

OHRBQTOZYGEWCJ-LLVKDONJSA-N

Chemical Structure

2D Structure

CAS: 457928-60-8

CID: 11183112

Formula: C13H18O

MW: 190.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.28
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	190.135765193
Monoisotopic Mass	190.135765193
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	174
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

Catalog	Name
sc-211513	FlorhydralR
sc-212883	(S) -FlorhydralR
sc-481137	(R, R, R) -Aprepitant
sc-487379	(R, R, R) -Triglycidyl Isocyanurate
sc-215831A	(S, R, R, R) -Orlistat
sc-215831	(S, R, R, R) -Orlistat
sc-215831B	(S, R, R, R) -Orlistat
sc-215831D	(S, R, R, R) -Orlistat
sc-215831C	(S, R, R, R) -Orlistat
sc-204224A	(R, R) -THC