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Intedanib Impurity 7; Guaiacol EP Impurity E

CAT: 1299-RM-N140433-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N140433-01Size:10 mg
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CAS Number
93-58-3
Synonyms
Methyl benzoate
Molecular Formula
C8H8O2
Molecular Weight
136.15
Target Alternative Name
Intedanib
Product Name Synonym
Methyl benzoate

Chemical Information

Methyl Benzoate

Methyl benzoate is a benzoate ester obtained by condensation of benzoic acid and methanol. It has a role as an insect attractant and a metabolite. It is a methyl ester and a benzoate ester.

CAS Number93-58-3
PubChem CID7150
IUPAC Namemethyl benzoate
Molecular FormulaC8H8O2
Molecular Weight136.15
XLogP2.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity114
SMILES
COC(=O)C1=CC=CC=C1
InChI
InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
QPJVMBTYPHYUOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl Benzoate
CAS: 93-58-3
CID: 7150
Formula: C8H8O2
MW: 136.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.15
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass136.052429494
Monoisotopic Mass136.052429494
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity114
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

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RM-G210200-01Guaiacol; Guaifenesin EP Impurity A
RM-G210204-01Guaiacol EP Impurity D
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Alternative Products

CatalogName
AR-N08785-01Nintedanib Impurity 81 (Intedanib Impurity 81)
AR-N01614-01Nintedanib Impurity 13 (Intedanib Impurity 13)
AR-N01623-01Nintedanib Impurity 22 (Intedanib Impurity 22)
AR-N01611-01Nintedanib Impurity 10 (Intedanib Impurity 10)
AR-N01612-01Nintedanib Impurity 11 (Intedanib Impurity 11)
AR-N01613-01Nintedanib Impurity 12 (Intedanib Impurity 12)
AR-N01619-01Nintedanib Impurity 18 (Intedanib Impurity 18)
AR-N01598-01Nintedanib Impurity 2 (Intedanib Impurity 2)
AR-N01601-01Nintedanib Impurity 5 (Intedanib Impurity 5)
AR-N01603-01Nintedanib Impurity 7 (Intedanib Impurity 7)

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