5-Acetyl-2-methoxybenzaldehyd

CAT: 0127-OR1092700Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1092700Size:250 mg

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CAS Number

531-99-7

MDL Number

MFCD19301502

Purity

95%

Smiles

C1 (c (ccc (c1) C (=O) C) OC) C=O

Chemical Information

5-Acetyl-2-methoxybenzaldehyde

CAS Number	531-99-7
PubChem CID	288758
IUPAC Name	5-acetyl-2-methoxybenzaldehyde
Molecular Formula	C10H10O3
Molecular Weight	178.18
XLogP	1
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	200

SMILES

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

InChI

InChI=1S/C10H10O3/c1-7(12)8-3-4-10(13-2)9(5-8)6-11/h3-6H,1-2H3

InChIKey

WGQVKYPDHREEJU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 531-99-7

CID: 288758

Formula: C10H10O3

MW: 178.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.18
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	178.062994177
Monoisotopic Mass	178.062994177
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	200
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
OR1080407-01	4-Acetyl-2-methoxybenzaldehyde
OR1101192-01	5-Acetyl-2-chlorobenzonitrile
OR91762-01	5-Acetyl-2-bromobenzonitrile
OR4686-01	2-Acetyl-5-chlorothiophene
OR9799-01	2-Acetyl-5-methylthiophene
OR345295-01	5-Acetyl-2-methoxypyridine
OR345362-01	2-Acetyl-5-methylpyridine
OR14930-01	5-Acetyl-2-bromopyridine
OR5500-01	2-Acetyl-5-bromothiophene
OR25927-01	5-Acetyl-2-chloropyridine

Catalog	Name
FA17059	5-Acetyl-2-aminobenzonitrile
TYD-00529-01	5-Acetyl-2-bromopyridine
414845-01	2-Acetyl-5-bromothiophene
258841-01	5-Acetyl-2-chloropyrazine
159338	2-Acetyl-5-nitropyrrole
MBS5772582	2-Acetyl-5-methylthiophene
sc-223368	2-Acetyl-5-chlorothiophene
PBA05582-01	5-Acetyl-2-hydroxybenzonitrile
TRC-A187150-2.5G	5-Acetyl-2-norbornene
260465-01	2-Acetyl-5-bromopyridine