Limonene Impurity 2

CAT: 1596-AR-L07281-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L07281-06Size:250 Units

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CAS Number

59514-63-5

Molecular Formula

C10H16O

Molecular Weight

152.24

API Name

Limonene

Chemical Information

1-Methyl-3-(prop-1-en-2-yl)cyclopentane-1-carbaldehyde

CAS Number	59514-63-5
PubChem CID	13931074
IUPAC Name	1-methyl-3-prop-1-en-2-ylcyclopentane-1-carbaldehyde
Molecular Formula	C10H16O
Molecular Weight	152.23
XLogP	2.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	183

SMILES

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

InChI

InChI=1S/C10H16O/c1-8(2)9-4-5-10(3,6-9)7-11/h7,9H,1,4-6H2,2-3H3

InChIKey

BFFAMIWMCMTBGV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59514-63-5

CID: 13931074

Formula: C10H16O

MW: 152.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.23
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	152.120115130
Monoisotopic Mass	152.120115130
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	183
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-L07282-01	Limonene Impurity 3
AR-L07283-01	Limonene Impurity 4
AR-L07287-01	Limonene Impurity 1
AR-L07284-01	Limonene Impurity 5
AR-L06107-01	(±) -Limonene
AR-L07286-01	Limonene-d5 (Terpin EP Impurity C-d5)
AR-L07285-01	Limonene Chlorohydrin (Terpin EP Impurity C Chlorohydrin)
AR-L01679-01	(S) - (-) -Limonene
AR-L01677-01	(R) - (+) -Limonene
AR-L01678-01	(R) - (+) -Limonene-d3