(4-Isopropylphenyl) acetaldehyde

CAT: 0926-EAA39592-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-EAA39592-01Size:0.5 g

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CAS Number

4395-92-0

MDL Number

MFCD00217008

Smiles

CC (C) C1=CC=C (C=C1) CC=O

Molecular Formula

C11H14O

Molecular Weight

162.23 g/mol

Controlled

Chemical Information

p-Isopropylphenylacetaldehyde

4-Isopropylphenylacetaldehyde is a monoterpenoid.

CAS Number	4395-92-0
PubChem CID	61359
IUPAC Name	2-(4-propan-2-ylphenyl)acetaldehyde
Molecular Formula	C11H14O
Molecular Weight	162.23
XLogP	2.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	132

SMILES

CC(C)C1=CC=C(C=C1)CC=O

InChI

InChI=1S/C11H14O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,8-9H,7H2,1-2H3

InChIKey

FSKGFRBHGXIDSA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4395-92-0

CID: 61359

Formula: C11H14O

MW: 162.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.23
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	162.104465066
Monoisotopic Mass	162.104465066
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	132
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
PDA00745-01	4-Isopropylphenyl isothiocyanate
AAA10409	(4-Methylphenyl) acetaldehyde
BAA46005-01	(4-Nitrophenyl) acetaldehyde
FM66809-01	4-Methoxycinnamylidene acetaldehyde
KAA09957-01	2- (4-Isopropylphenyl) ethanol
JDA55803	2- (4-Isopropylphenyl) ethanamine
JCA76938-01	2- (4-Fluorophenoxy) acetaldehyde
CFD47233-01	2- (4-Methyloxan-4-yl) acetaldehyde
ZDA79729-01	2-Chloro-4- (4-isopropylphenyl) thiazole
JEA34684-01	2- (3,4-Difluorophenyl) acetaldehyde

Catalog	Name
OR1072352-01	(4-Isopropylphenyl) acetaldehyde
sc-277396	(4-Fluorophenyl) 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