2- (4-Methoxy-2-methylphenyl) acetaldehyde

CAT: 0926-GTB79835-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-GTB79835-01Size:50 mg

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CAS Number

1081798-35-7

MDL Number

MFCD11110112

Smiles

CC1=C (C=CC (=C1) OC) CC=O

Molecular Formula

C10H12O2

Molecular Weight

164.2 g/mol

Controlled

Chemical Information

2-(4-Methoxy-2-methylphenyl)acetaldehyde

CAS Number	1081798-35-7
PubChem CID	53403654
IUPAC Name	2-(4-methoxy-2-methylphenyl)acetaldehyde
Molecular Formula	C10H12O2
Molecular Weight	164.20
XLogP	1.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	145

SMILES

CC1=C(C=CC(=C1)OC)CC=O

InChI

InChI=1S/C10H12O2/c1-8-7-10(12-2)4-3-9(8)5-6-11/h3-4,6-7H,5H2,1-2H3

InChIKey

RTQZKMSMGKZSSV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1081798-35-7

CID: 53403654

Formula: C10H12O2

MW: 164.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.20
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	164.083729621
Monoisotopic Mass	164.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	145
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
KAA16608-01	(2-Methylphenyl) acetaldehyde
AAA10409	(4-Methylphenyl) acetaldehyde
WEA28923-01	2-[ (4-Methoxyphenyl) methoxy]acetaldehyde
GAC47584-01	2- (4-Fluoro-3-methylphenyl) acetaldehyde
VXC74767-01	2-Methoxy-2- (oxan-4-yl) acetaldehyde
BJB67022-01	(2-Methoxy-4-methylphenyl) methanamine
GDA15151-01	4-[ (2-Methylphenyl) methoxy]piperidine
NDA88440-01	(4-Methoxy-2-methylphenyl) thiourea
LRA23832-01	4- (4-Methoxy-2-methylphenyl) butan-2-one
HDA16291-01	(2-Chlorophenyl) (4-methoxy-2-methylphenyl) methanone

Catalog	Name
sc-277533	(4-Methylphenyl) acetaldehyde
OR51990	(4-Methylphenyl) (oxo) acetaldehyde
sc-304779	2- (2-Methoxy-4-nitrophenyl) 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
TRC-M222983-500MG	2-(4-Methoxyphenyl)acetaldehyde
OR1054334	2- (4-Nitrophenyl) acetaldehyde
OR1071218-01	2- (4,4-Dimethylcyclohexyl) acetaldehyde