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Epitrametol

CAT: 0013-GTR19229136-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229136-02Size:5 mg
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Description
Epitrametol is a research chemical employed in life science studies. It serves as a valuable tool compound for both in vitro biochemical assays and in vivo pharmacological research, aiding in the investigation of specific biological pathways.
CAS Number
627538-65-2
Smiles
[C@@H] ([C@@H] (C) O) (O) C1=CC (Cl) =C (OC) C=C1
Molecular Formula
C10H13ClO3
Molecular Weight
216.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 131047700
CAS Number627538-65-2
PubChem CID131047700
IUPAC Name(1R,2R)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
Molecular FormulaC10H13ClO3
Molecular Weight216.66
XLogP1.4
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity177
SMILES
C[C@H]([C@@H](C1=CC(=C(C=C1)OC)Cl)O)O
InChI
InChI=1S/C10H13ClO3/c1-6(12)10(13)7-3-4-9(14-2)8(11)5-7/h3-6,10,12-13H,1-2H3/t6-,10+/m1/s1
InChIKey
AZXJGOGDICMETN-LDWIPMOCSA-N
Chemical Structure
2D Structure
2D structure of CID 131047700
CAS: 627538-65-2
CID: 131047700
Formula: C10H13ClO3
MW: 216.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.66
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass216.0553220
Monoisotopic Mass216.0553220
Topological Polar Surface Area49.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity177
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5790026Epitrametol

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