4-Ethoxy-2-formylbenzoic acid

CAT: 0127-OR1089191-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1089191-01Size:250 mg

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CAS Number

2734774-16-2

MDL Number

MFCD34564052

Purity

97%

Smiles

C1c (cc (c (c1) C (=O) O) C=O) OCC

Chemical Information

4-Ethoxy-2-formylbenzoic acid

CAS Number	2734774-16-2
PubChem CID	164890864
IUPAC Name	4-ethoxy-2-formylbenzoic acid
Molecular Formula	C10H10O4
Molecular Weight	194.18
XLogP	1.1
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	214

SMILES

CCOC1=CC(=C(C=C1)C(=O)O)C=O

InChI

InChI=1S/C10H10O4/c1-2-14-8-3-4-9(10(12)13)7(5-8)6-11/h3-6H,2H2,1H3,(H,12,13)

InChIKey

OFQFXDZNBIJDQG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2734774-16-2

CID: 164890864

Formula: C10H10O4

MW: 194.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.18
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	194.05790880
Monoisotopic Mass	194.05790880
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	214
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

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417499-01	2-Ethoxy-5-formylbenzoic acid
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