AGN 194204 Impurity 5

CAT: 1596-AR-A05785-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A05785-01Size:10 Units

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CAS Number

220620-62-2

Molecular Formula

C19H26O

Molecular Weight

270.42

API Name

Agn 194204

Chemical Information

(1R,2S)-2-Methyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)cyclopropanecarboxaldehyde

CAS Number	220620-62-2
PubChem CID	11821696
IUPAC Name	cis-(1R,2S)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde
Molecular Formula	C19H26O
Molecular Weight	270.4
XLogP	5.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	408

SMILES

C[C@@]1(C[C@H]1C=O)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C

InChI

InChI=1S/C19H26O/c1-17(2)8-9-18(3,4)16-10-13(6-7-15(16)17)19(5)11-14(19)12-20/h6-7,10,12,14H,8-9,11H2,1-5H3/t14-,19+/m0/s1

InChIKey

WSWZYPKMDCVLKS-IFXJQAMLSA-N

Chemical Structure

2D Structure

CAS: 220620-62-2

CID: 11821696

Formula: C19H26O

MW: 270.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	270.4
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	270.198365449
Monoisotopic Mass	270.198365449
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	408
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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