4-Methoxycinnamylidene acetaldehyde

CAT: 0926-FM66809-01Size: 0.5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FM66809-01Size:0.5 g

Selected

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

Quick Request Actions

CAS Number

27394-81-6

Smiles

COC1=CC=C (C=C1) /C=C/C=C/C=O

Molecular Formula

C12H12O2

Molecular Weight

188.22 g/mol

Controlled

Chemical Information

5-(4-Methoxyphenyl)penta-2,4-dienal

CAS Number	27394-81-6
PubChem CID	5380283
IUPAC Name	(2E,4E)-5-(4-methoxyphenyl)penta-2,4-dienal
Molecular Formula	C12H12O2
Molecular Weight	188.22
XLogP	2.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	210

SMILES

COC1=CC=C(C=C1)/C=C/C=C/C=O

InChI

InChI=1S/C12H12O2/c1-14-12-8-6-11(7-9-12)5-3-2-4-10-13/h2-10H,1H3/b4-2+,5-3+

InChIKey

IMYIHKBGPIBXFG-ZUVMSYQZSA-N

Chemical Structure

2D Structure

CAS: 27394-81-6

CID: 5380283

Formula: C12H12O2

MW: 188.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.22
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	188.083729621
Monoisotopic Mass	188.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	210
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AAA10409	(4-Methylphenyl) acetaldehyde
EAA39592-01	(4-Isopropylphenyl) acetaldehyde
BAA46005-01	(4-Nitrophenyl) acetaldehyde
JCA76938-01	2- (4-Fluorophenoxy) acetaldehyde
CFD47233-01	2- (4-Methyloxan-4-yl) acetaldehyde
JEA34684-01	2- (3,4-Difluorophenyl) acetaldehyde
XJB04612-01	2-[4- (Difluoromethoxy) phenyl]acetaldehyde
WEA28923-01	2-[ (4-Methoxyphenyl) methoxy]acetaldehyde
FAA70755-01	2- (3,4-Dihydroxyphenyl) acetaldehyde
FD142379-01	2- (3,4-Dimethoxyphenyl) acetaldehyde

Catalog	Name
sc-277396	(4-Fluorophenyl) acetaldehyde
OR1072352-01	(4-Isopropylphenyl) acetaldehyde
431297-01	(4-Bromophenyl) acetaldehyde
269838-01	(4-Chlorophenyl) acetaldehyde
sc-277533	(4-Methylphenyl) acetaldehyde
OR1071218-01	2- (4,4-Dimethylcyclohexyl) acetaldehyde
sc-214460	Acetaldehyde-2,4-dinitrophenylhydrazone
TRC-A132700-1G	Acetaldehyde 2,4-Dinitrophenylhydrazone
OR1093466-01	2- (4-methoxyphenoxy) acetaldehyde
TRC-B435050-500MG	2-(4-Fluorophenyl)acetaldehyde