3-Furoic acid

CAT: 0926-FF03625-01Size: 0.1 KgDry Ice: NoHazardous: No

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CAT#:0926-FF03625-01Size:0.1 Kg

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CAS Number

488-93-7

Synonyms

Furan-3-carboxylic acid;3-Furancarboxylic acid

MDL Number

MFCD00005350

Smiles

C1=COC=C1C (=O) O

Molecular Formula

C5H4O3

Molecular Weight

112.08 g/mol

Controlled

Chemical Information

3-Furoic acid

3-furoic acid is a furoic acid carrying the carboxy group at position 3. It has a role as a human metabolite. It is a conjugate acid of a 3-furoate.

CAS Number	488-93-7
PubChem CID	10268
IUPAC Name	furan-3-carboxylic acid
Molecular Formula	C5H4O3
Molecular Weight	112.08
XLogP	1
Topological Polar Surface Area	50.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	99

SMILES

C1=COC=C1C(=O)O

InChI

InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)

InChIKey

IHCCAYCGZOLTEU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 488-93-7

CID: 10268

Formula: C5H4O3

MW: 112.08

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	112.08
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	112.016043985
Monoisotopic Mass	112.016043985
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	99.8
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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FA134892-01	5- (Aminomethyl) -2-furoic acid hydrochloride
UDA08470	5-[ (Methylthio) methyl]-2-furoic acid
FD172339-01	4,5-Dimethyl-2-furoic acid
EDA50496-01	5-[ (Phenylthio) methyl]-2-furoic acid
DBA12373	5- (4-Nitrophenyl) -2-furoic acid
FF115268	5-[ (4-Fluorophenoxy) methyl]-2-furoic acid

Alternative Products

Catalog	Name
C11612	3-Furoic acid
106510 5	3 -Furoic Acid
sc-255650	Tetrahydro-3-furoic acid
TRC-B682945-2.5G	2-Bromo-3-furoic Acid
GTR19251500-01	2-Methyl-3-furoic acid
GTR19251891-01	3-Methyl-2-furoic acid
sc-350323A	5- (phenylethynyl) -3-furoic acid

3-Furoic acid

Chemical Information

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