2- (allyloxy) -3-methylbenzaldehyde

CAT: 0127-OR1084388-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1084388-01Size:250 mg

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CAS Number

153034-23-2

Purity

97%

Smiles

C1ccc (c (c1C) OCC=C) C=O

Chemical Information

2-(Allyloxy)-3-methylbenzaldehyde

CAS Number	153034-23-2
PubChem CID	99703909
IUPAC Name	3-methyl-2-prop-2-enoxybenzaldehyde
Molecular Formula	C11H12O2
Molecular Weight	176.21
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	13
Formal Charge	0
Complexity	177

SMILES

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

InChI

InChI=1S/C11H12O2/c1-3-7-13-11-9(2)5-4-6-10(11)8-12/h3-6,8H,1,7H2,2H3

InChIKey

RJIXCNCWFOGXRY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 153034-23-2

CID: 99703909

Formula: C11H12O2

MW: 176.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.21
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	176.083729621
Monoisotopic Mass	176.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	177
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
OR1094973	3- (benzyloxy) -2-methylbenzaldehyde
OR16673-01	3-Bromo-2-methylbenzaldehyde
OR54473-01	2-Chloro-3-methylbenzaldehyde
OR944617-01	2-Bromo-3-methylbenzaldehyde
OR1032689-01	2-Iodo-3-methylbenzaldehyde
OR1082091-01	3- (Cyclopropylmethoxy) -2-methylbenzaldehyde
OR93381-01	2-Amino-3-methylbenzaldehyde
OR48103-01	3-Iodo-2-methylbenzaldehyde
OR1099752	2- (Methoxymethoxy) -3-methylbenzaldehyde
OR1098262	2-Isopropoxy-3-methylbenzaldehyde

Catalog	Name
261173-01	3- (Allyloxy) benzaldehyde
GAA77700	3- (Allyloxy) oxetane
423656-01	3-Allyloxy-4-methoxybenzaldehyde
sc-310128	3- (Allyloxy) piperidine hydrochloride
sc-348179	4- (allyloxy) -3-bromobenzaldehyde
sc-310127	3- (Allyloxy) aniline hydrochloride
sc-312292	3-Allyloxy-benzoic acid
sc-284054	4- (allyloxy) -3-ethoxybenzaldehyde
sc-310575	3-[ (Allyloxy) methyl]piperidine
sc-273938	2- (Allyloxy) -3-methoxybenzaldehyde