δ-Damascone

CAT: 0926-HCA37868Size: 250 gDry Ice: NoHazardous: No

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CAT#:0926-HCA37868Size:250 g

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CAS Number

57378-68-4

MDL Number

MFCD00489848

Smiles

CC=CC (=O) C1C (C=CCC1 (C) C) C

Molecular Formula

C13H20O

Molecular Weight

192.3 g/mol

Controlled

Chemical Information

Delta-Damascone

CAS Number	57378-68-4
PubChem CID	5365916
IUPAC Name	(E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one
Molecular Formula	C13H20O
Molecular Weight	192.30
XLogP	3.4
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	271

SMILES

C/C=C/C(=O)C1C(C=CCC1(C)C)C

InChI

InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3/b7-5+

InChIKey

XEJGJTYRUWUFFD-FNORWQNLSA-N

Chemical Structure

2D Structure

CAS: 57378-68-4

CID: 5365916

Formula: C13H20O

MW: 192.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.30
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	192.151415257
Monoisotopic Mass	192.151415257
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	271
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FD74155-01	Damascenone