4- (2-Hydroxy-ethoxy) -3-methoxy-benzaldehyde

CAT: 0926-PCA67304-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-PCA67304-01Size:100 mg

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CAS Number

64673-04-7

MDL Number

MFCD02256123

Smiles

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

Molecular Formula

C10H12O4

Molecular Weight

196.2 g/mol

Controlled

Chemical Information

4-(2-Hydroxyethoxy)-3-methoxybenzaldehyde

CAS Number	64673-04-7
PubChem CID	3152712
IUPAC Name	4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
Molecular Formula	C10H12O4
Molecular Weight	196.20
XLogP	0.6
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	172

SMILES

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

InChI

InChI=1S/C10H12O4/c1-13-10-6-8(7-12)2-3-9(10)14-5-4-11/h2-3,6-7,11H,4-5H2,1H3

InChIKey

VGXGYHPTBPXION-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 64673-04-7

CID: 3152712

Formula: C10H12O4

MW: 196.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	196.07355886
Monoisotopic Mass	196.07355886
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	172
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
HCA64336-01	3- (2-Hydroxy-ethoxy) -4-methoxy-benzaldehyde
LBA82400	4- (2-Methoxy-ethoxy) -benzaldehyde
RDA12308-01	3-Ethoxy-4- (2-hydroxy-ethoxy) -benzaldehyde
TBA05777	4-Ethoxy-2-hydroxy-benzaldehyde
PEA99170-01	3-Methoxy-4- (2-methoxy-ethoxy) -benzaldehyde
YCA24450-01	3- (2-Methoxy-ethoxy) -benzaldehyde
FDA83254-01	5-Ethoxy-2-hydroxy-benzaldehyde
GAA61524-01	2-Hydroxy-4-methoxy-5-nitro-benzaldehyde
TAA26876-01	2-Chloro-4-hydroxy-5-methoxy-benzaldehyde
WBA99588	3-Methoxy-4- (2-piperidin-1-yl-ethoxy) -benzaldehyde

Catalog	Name
sc-314023	4- (2-Hydroxy-ethoxy) -3-methoxy-benzaldehyde
sc-309483	3- (2-Methoxy-ethoxy) -benzaldehyde
sc-323190	4-Methoxy-3- (2-methoxy-ethoxy) -benzaldehyde
sc-312913	3-Ethoxy-4- (2-hydroxy-ethoxy) -benzaldehyde
sc-313226	3-Methoxy-4- (2-methoxy-ethoxy) -benzaldehyde
sc-304642	2- (2-Dimethylamino-ethoxy) -3-methoxy-benzaldehyde
sc-314069	4- (2-Methoxy-ethoxy) -benzaldehyde
OR1095565	2-Ethoxy-5-methoxy-benzaldehyde
432151-01	4-Ethoxy-2-hydroxy-benzaldehyde
sc-314024	4- (2-Hydroxy-ethoxy) -benzaldehyde