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Compound Fr13655

CAT: 0931-Fr13655-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13655-01Size:50 mg
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CAS Number
1195-09-1
Bioactivity
Compound Fr13655, with CAS No. 1195-09-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13655 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
COC1=C(O)C=C(C)C=C1
Molecular Formula
C8H10O2
Molecular Weight
138.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Methoxy-5-methylphenol

2-Methoxy-5-methylphenol is a member of phenols and a member of methoxybenzenes.

CAS Number1195-09-1
PubChem CID14519
IUPAC Name2-methoxy-5-methylphenol
Molecular FormulaC8H10O2
Molecular Weight138.16
XLogP2.1
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity103
SMILES
CC1=CC(=C(C=C1)OC)O
InChI
InChI=1S/C8H10O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3
InChIKey
IFNDEOYXGHGERA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-5-methylphenol
CAS: 1195-09-1
CID: 14519
Formula: C8H10O2
MW: 138.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.16
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass138.068079557
Monoisotopic Mass138.068079557
Topological Polar Surface Area29.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr13656-01Compound Fr13656
Fr13855-01Compound Fr13855
Fr13652-01Compound Fr13652
Fr13455-01Compound Fr13455
Fr13255-01Compound Fr13255
Fr13695-01Compound Fr13695
Fr13651-01Compound Fr13651
Fr13654-01Compound Fr13654
Fr13625-01Compound Fr13625
Fr13653-01Compound Fr13653

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

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