2-Ethoxy-4-propoxybenzoic acid

CAT: 0926-EWB27651-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-EWB27651-01Size:50 mg

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CAS Number

1154276-51-3

MDL Number

MFCD12177300

Smiles

CCCOC1=CC (=C (C=C1) C (=O) O) OCC

Molecular Formula

C12H16O4

Molecular Weight

224.25 g/mol

Controlled

Chemical Information

2-Ethoxy-4-propoxybenzoic acid

CAS Number	1154276-51-3
PubChem CID	43472353
IUPAC Name	2-ethoxy-4-propoxybenzoic acid
Molecular Formula	C12H16O4
Molecular Weight	224.25
XLogP	2.5
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	217

SMILES

CCCOC1=CC(=C(C=C1)C(=O)O)OCC

InChI

InChI=1S/C12H16O4/c1-3-7-16-9-5-6-10(12(13)14)11(8-9)15-4-2/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)

InChIKey

LFTJXZQTEYZYLN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1154276-51-3

CID: 43472353

Formula: C12H16O4

MW: 224.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.25
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	224.10485899
Monoisotopic Mass	224.10485899
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	217
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
YDB24544-01	3-Chloro-5-ethoxy-4-propoxybenzoic acid
FP61815-01	4-Propoxybenzoic Acid
EWB27543-01	2- (Cyclopentyloxy) -4-propoxybenzoic acid
FWB11854-01	2-Butoxy-4-propoxybenzoic acid
MDA35970-01	4-Methoxy-2-propoxybenzoic acid
EWB27655-01	2- (Benzyloxy) -4-propoxybenzoic acid
EWB27648-01	2- (Difluoromethoxy) -4-propoxybenzoic acid
EEA21701-01	2-Methoxy-4-propoxybenzoic acid
EXB24344-01	2- (3-Methoxypropoxy) -4-propoxybenzoic acid
EWB27597-01	2- (Propan-2-yloxy) -4-propoxybenzoic acid

Catalog	Name
sc-312929	3-Ethoxy-4-propoxybenzoic acid
PC1018743-01	2-Ethoxy-3-fluoro-4-propoxybenzoic acid
sc-346681A	3-chloro-5-ethoxy-4-propoxybenzoic acid
sc-232974	4-Propoxybenzoic acid
PC8853	2-Fluoro-4-propoxybenzoic acid
OR1081596-01	4-methyl-2-propoxybenzoic acid
OR1082231	2-Methyl-4-propoxybenzoic acid
PC51389	4-Fluoro-2-propoxybenzoic acid
430869-01	4-Bromo-2-propoxybenzoic acid
020090	2-Propoxybenzoic Acid