3-Allyl-4-methoxybenzaldehyde

CAT: 0024-sc-460949Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-460949Size:250 mg

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CAS Number

67483-48-1

Chemical Information

3-Allyl-4-methoxybenzaldehyde

CAS Number	67483-48-1
PubChem CID	17604490
IUPAC Name	4-methoxy-3-prop-2-enylbenzaldehyde
Molecular Formula	C11H12O2
Molecular Weight	176.21
XLogP	2.9
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

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

InChI

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

InChIKey

KBXMYFVAWMPGAT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67483-48-1

CID: 17604490

Formula: C11H12O2

MW: 176.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.21
XLogP3	2.9
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
sc-214126A	3-Ethoxy-4-methoxybenzaldehyde
sc-276275	3-isobutoxy-4-methoxybenzaldehyde
sc-254472	3-Fluoro-4-methoxybenzaldehyde
sc-209541	3-Benzyloxy-4-methoxybenzaldehyde
sc-314928	4- (Difluoromethyl) -3-methoxybenzaldehyde
sc-471930	4-Chloro-3-methoxybenzaldehyde
sc-283638A	3-Allyloxy-4-methoxybenzaldehyde
sc-226623	4-Ethoxy-3-methoxybenzaldehyde
sc-283587	3- (ethoxymethyl) -4-methoxybenzaldehyde
sc-231516	3-Bromo-4-methoxybenzaldehyde

Catalog	Name
261169-01	3-Allyl-4-methoxybenzaldehyde
231518-01	3-Allyl-4-methoxybenzaldehyde ≥95% (NMR)
AR-M03047-01	2-allyl-3-methoxybenzaldehyde
OR55035-01	5-Allyl-2-hydroxy-3-methoxybenzaldehyde
IZA51500-01	3-Cyclopropoxy-4-methoxybenzaldehyde
FE46457-01	3-Ethoxy-4-methoxybenzaldehyde
FE46006-01	4-Ethoxy-3-methoxybenzaldehyde
B1078-03H	3-Benzyloxy-4-methoxybenzaldehyde
261066-01	3-Allyloxy-4-Methoxybenzaldehyde
425644-01	3-Fluoro-4-methoxybenzaldehyde