2-Formylphenoxyacetic acid

CAT: 0127-OR89643-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR89643-01Size:100 mg

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CAS Number

6280-80-4

MDL Number

MFCD00003315

Purity

99%

Smiles

O=CC1=CC=CC=C1OCC(O)=O

Chemical Information

Acetic acid, 2-(2-formylphenoxy)-

CAS Number	6280-80-4
PubChem CID	46533
IUPAC Name	2-(2-formylphenoxy)acetic acid
Molecular Formula	C9H8O4
Molecular Weight	180.16
XLogP	0.8
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	190

SMILES

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

InChI

InChI=1S/C9H8O4/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-5H,6H2,(H,11,12)

InChIKey

ANWMNLAAFDCKMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6280-80-4

CID: 46533

Formula: C9H8O4

MW: 180.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.16
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	180.04225873
Monoisotopic Mass	180.04225873
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	190
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
OR930525-01	4-Formylphenoxyacetic acid
OR1043601-01	3-Formylphenoxyacetic acid
OR1043409-01	3-Formylphenoxyacetic acid
PC1007558-01	2- (2-Pyridyloxy) acetic acid;2,2,2-trifluoroacetic acid
OR1102080-01	2,2'-Sulfinyldiacetic acid
BUP18751	2,2-Dimethylsuccinic acid
OR1049228-01	2,2-Dimethoxypropanoic acid
PC9834-01	2,2-Difluoropropanoic acid
OR937096-01	2,2-Dimethylbutyric acid
OR64743	2,2-Dibromopropanoic acid

Catalog	Name
HY-41599-01	2-Formylphenoxyacetic acid
FF70954-01	4-Formylphenoxyacetic acid
FF70718-01	3-Formylphenoxyacetic acid
F05553-01	O-Formylphenoxyacetic Acid 97%
F05560-01	P-Formylphenoxyacetic acid 97%
F05555-01	M-Formylphenoxyacetic acid 97%
D3727-70	2,2-Diphenylpentanoic Acid (2,2-Diphenylvaleric Acid)
MBS6054549-01	2-Mercaptophenylacetic Acid (2-Mercaptobenzeneacetic Acid)
TRC-N345640-5G	2-Naphthoic Acid (2-Naphthalenecarboxylic Acid)
A0536-45	2-Acetylthioisobutyric Acid ((2-Acetylthio) -2-methylpropanoic Acid)