1-Phenylcyclopentanecarbaldehyde

CAT: 0127-OR1069552-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1069552-01Size:100 mg

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CAS Number

21573-69-3

MDL Number

MFCD11040233

Purity

97%

Smiles

O=CC1(C2=CC=CC=C2)CCCC1

Chemical Information

1-Phenylcyclopentane-1-carbaldehyde

CAS Number	21573-69-3
PubChem CID	11095124
IUPAC Name	1-phenylcyclopentane-1-carbaldehyde
Molecular Formula	C12H14O
Molecular Weight	174.24
XLogP	2.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	174

SMILES

C1CCC(C1)(C=O)C2=CC=CC=C2

InChI

InChI=1S/C12H14O/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2

InChIKey

KZCVVVIPPHGCOH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21573-69-3

CID: 11095124

Formula: C12H14O

MW: 174.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.24
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	174.104465066
Monoisotopic Mass	174.104465066
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	174
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

Catalog	Name
BUP12620-01	1,1,1,1-Kestohexaose
OR312388	1-Phenylbicyclo[1.1.1]pentane
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
OR1044052-01	1,1,1-Trimethoxypropane
PC2909	1,1,1-Trifluorobutane
PC7819M-01	1,1,1-Trifluoropropane
OR305626	1,1,1-Triphenylsilanamine
OR16079-01	1,1,1-Trichloroacetone
PC01657-01	1,1,1-Trifluorohexane

Catalog	Name
OF59775-01	1,1,1,1,1-Kestoheptaose
N2864-5.1	1,1,1,1-Kestohexaose
112040	1,1,1,1-Kestohexose
410417-01	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
IFA69273-01	1-Iodobicyclo[1.1.1]pentane
GTR19217879-01	AMPK-α1β1γ1 activator 1
DFA88480-01	1-Bromobicyclo[1.1.1]pentane
AAA91800	1,1,1-Trichloroacetone
HY-133623	1,1,1-Tribromoacetone