2-Hydroxy-4-methoxy-3-methylbenzaldehyde

CAT: 0127-OR97109-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR97109-01Size:100 mg

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CAS Number

54700-36-6

MDL Number

MFCD23705481

Purity

97%

Smiles

COC1=CC=C(C=O)C(O)=C1C

Chemical Information

2-Hydroxy-4-methoxy-3-methylbenzaldehyde

CAS Number	54700-36-6
PubChem CID	10511246
IUPAC Name	2-hydroxy-4-methoxy-3-methylbenzaldehyde
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	1.9
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	158

SMILES

CC1=C(C=CC(=C1O)C=O)OC

InChI

InChI=1S/C9H10O3/c1-6-8(12-2)4-3-7(5-10)9(6)11/h3-5,11H,1-2H3

InChIKey

MWCPNBQNOZAZCM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54700-36-6

CID: 10511246

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	158
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
OR1031185-01	2-Hydroxy-4-methoxy-5-methylbenzaldehyde
OR1031103-01	2-Hydroxy-6-methoxy-4-methylbenzaldehyde
OR1026621-01	4-Hydroxy-3-Methoxy-5-Methylbenzaldehyde
OR1064930-01	2-Hydroxy-5-methoxy-3-methylbenzaldehyde
OR400239-01	2-Methoxy-4-methylbenzaldehyde
OR11329-01	3-Methoxy-4-methylbenzaldehyde
OR60083-01	4-Methoxy-3-methylbenzaldehyde
BUP19538	2-Hydroxy-4-methylbenzaldehyde
OR6975-01	2-Hydroxy-4-methylbenzaldehyde
OR322238-01	4-Hydroxy-3-methylbenzaldehyde

Catalog	Name
TAA10232-01	4-Hydroxy-3-methoxy-2-methylbenzaldehyde
ZCA51654-01	2-Hydroxy-5-methoxy-4-methylbenzaldehyde
AR-B06350-01	4-Hydroxy-3-methoxy-5-methylbenzaldehyde
HAA72161-01	5-Hydroxy-4-methoxy-2-methylbenzaldehyde
HAA45210-01	2-Hydroxy-3-methoxy-5-methylbenzaldehyde
B208355	6-Benzoyloxy-2-hydroxy-4-methoxy-3-methylbenzaldehyde
418577-01	2-Methoxy-4-methylbenzaldehyde
sc-232810	4-Methoxy-2-methylbenzaldehyde
TRC-M263350-1G	4-Methoxy-3-methylbenzaldehyde
sc-261037	3-Methoxy-4-methylbenzaldehyde