Versalide

CAT: 0926-AAA08829-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-AAA08829-01Size:5 mg

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

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CAS Number

88-29-9

MDL Number

MFCD00053275

Smiles

CCS (=O) (=O) CC1=C (N (C (=N1) C) C) [N+] (=O) [O-]

Molecular Formula

C18H26O

Molecular Weight

258.4 g/mol

Controlled

Chemical Information

7-Acetyl-6-ethyl-1,1,4,4-tetramethyltetralin

musk fragrance in soaps & cosmetics; structure

CAS Number	88-29-9
PubChem CID	6930
IUPAC Name	1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
Molecular Formula	C18H26O
Molecular Weight	258.4
XLogP	5.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	353

SMILES

CCC1=CC2=C(C=C1C(=O)C)C(CCC2(C)C)(C)C

InChI

InChI=1S/C18H26O/c1-7-13-10-15-16(11-14(13)12(2)19)18(5,6)9-8-17(15,3)4/h10-11H,7-9H2,1-6H3

InChIKey

KSEZPRJUTHMFGZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 88-29-9

CID: 6930

Formula: C18H26O

MW: 258.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.4
XLogP3	5.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	258.198365449
Monoisotopic Mass	258.198365449
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	353
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
AAA09347	Verazide
TZA86058	Vernolide B