Bisfuranol Impurity 2

CAT: 1596-AR-B07364-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B07364-06Size:250 Units

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CAS Number

252873-50-0

Molecular Formula

C6H10O3

Molecular Weight

130.14

API Name

Bisfuranol

Chemical Information

(3S,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-ol

CAS Number	252873-50-0
PubChem CID	11147731
IUPAC Name	(3aS,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
Molecular Formula	C6H10O3
Molecular Weight	130.14
XLogP	-0.4
Topological Polar Surface Area	38.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	115

SMILES

C1CO[C@H]2[C@@H]1[C@@H](CO2)O

InChI

InChI=1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5+,6+/m0/s1

InChIKey

RCDXYCHYMULCDZ-KVQBGUIXSA-N

Chemical Structure

2D Structure

CAS: 252873-50-0

CID: 11147731

Formula: C6H10O3

MW: 130.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.14
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	130.062994177
Monoisotopic Mass	130.062994177
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	115
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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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