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3-Hydroxycarbofuran

CAT: 0607-BA7358-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7358-10Size:10 mg
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CAS Number
16655-82-6
Molecular Formula
C12H15NO4
Molecular Weight
237.25
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

3-Hydroxycarbofuran

3-Hydroxy-carbofuran is a member of 1-benzofurans.

CAS Number16655-82-6
PubChem CID27975
IUPAC Name(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
Molecular FormulaC12H15NO4
Molecular Weight237.25
XLogP1.2
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity305
SMILES
CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C
InChI
InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)
InChIKey
RHSUJRQZTQNSLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxycarbofuran
CAS: 16655-82-6
CID: 27975
Formula: C12H15NO4
MW: 237.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight237.25
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass237.10010796
Monoisotopic Mass237.10010796
Topological Polar Surface Area67.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity305
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes