Evocalcet Impurity 1

CAT: 1596-AR-E10876-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E10876-02Size:25 Units

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

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CAS Number

52417-52-4

Molecular Formula

C13H12O

Molecular Weight

184.24

API Name

Evocalcet

Chemical Information

2-(Naphthalen-1-yl)propanal

CAS Number	52417-52-4
PubChem CID	14172245
IUPAC Name	2-naphthalen-1-ylpropanal
Molecular Formula	C13H12O
Molecular Weight	184.23
XLogP	3.1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	199

SMILES

CC(C=O)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C13H12O/c1-10(9-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-10H,1H3

InChIKey

BBTNFBSDEIGSIG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52417-52-4

CID: 14172245

Formula: C13H12O

MW: 184.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.23
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	184.088815002
Monoisotopic Mass	184.088815002
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	199
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes