Crocetindial

CAT: 0926-FC57751-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-FC57751-01Size:1 mg

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CAS Number

502-70-5

Synonyms

(8,8'-Diapocarotene-8,8'-dial; Crocetin dialdehyde

Smiles

CC (=CC=CC=C (C) C=CC=C (C) C=O) C=CC=C (C) C=O

Molecular Formula

C20H24O2

Molecular Weight

296.4 g/mol

Controlled

Chemical Information

2,6,11,15-Tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedial

CAS Number	502-70-5
PubChem CID	25201897
IUPAC Name	2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedial
Molecular Formula	C20H24O2
Molecular Weight	296.4
XLogP	5.3
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Heavy Atom Count	22
Formal Charge	0
Complexity	525

SMILES

CC(=CC=CC=C(C)C=CC=C(C)C=O)C=CC=C(C)C=O

InChI

InChI=1S/C20H24O2/c1-17(11-7-13-19(3)15-21)9-5-6-10-18(2)12-8-14-20(4)16-22/h5-16H,1-4H3

InChIKey

YHCIKUXPWFLCFN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 502-70-5

CID: 25201897

Formula: C20H24O2

MW: 296.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.4
XLogP3	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	296.177630004
Monoisotopic Mass	296.177630004
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	525
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	7
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
270478	Crocetindial