Oxane-2-Carboxylic Acid

CAT: 1489-O1240-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:1489-O1240-01Size:500 mg

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CAS Number

51673-83-7

Purity

0.968

Chemical Information

Oxane-2-carboxylic acid

CAS Number	51673-83-7
PubChem CID	10964532
IUPAC Name	oxane-2-carboxylic acid
Molecular Formula	C6H10O3
Molecular Weight	130.14
XLogP	0.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	111

SMILES

C1CCOC(C1)C(=O)O

InChI

InChI=1S/C6H10O3/c7-6(8)5-3-1-2-4-9-5/h5H,1-4H2,(H,7,8)

InChIKey

MQAYFGXOFCEZRW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51673-83-7

CID: 10964532

Formula: C6H10O3

MW: 130.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.14
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	130.062994177
Monoisotopic Mass	130.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	111
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
O1210-01	Oxane-4-carboxylic acid
P1520-01	Pyrrole-2-carboxylic acid
I3450-01	(R) - (+) -Indoline-2-carboxylic acid
H7930-01	4'-Hydroxyazobenzene-2-carboxylic Acid
C2600-01	3-Chloropyridine-2-Carboxylic Acid
A2430-01	(2S) -Azetidine-2-Carboxylic Acid
M6740-01	3-Methylbenzofuran-2-carboxylic acid
C2650-01	4-Chloropyridine-2-Carboxylic Acid
F1560-01	2-Fluoropyridine-6-Carboxylic Acid
M3000-01	(2S) -2-Methylpyrrolidine-2-Carboxylic Acid Hydrochloride

Catalog	Name
HJB17342-01	2- (Methoxymethyl) oxane-2-carboxylic acid
DAA64877-01	4- (2-Methylphenyl) oxane-4-carboxylic acid
AAC50753-01	4- (2-Chlorophenyl) oxane-4-carboxylic acid
OR306433	4- (2-Methoxyphenyl) oxane-4-carboxylic acid
CDA55489-01	2- (Propan-2-yl) oxane-4-carboxylic acid
BFD20798-01	2-[ (4-Fluorophenyl) methyl]oxane-2-carboxylic acid
ZKC76114-01	4- (Trifluoromethyl) oxane-4-carboxylic acid
KYB22646-01	4- (Methoxymethyl) oxane-4-carboxylic acid
CWB56767-01	4- (2,4-Dichlorophenyl) oxane-4-carboxylic acid
KFC69664-01	4- (Cyclopropylmethyl) oxane-4-carboxylic acid