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Revefenacin Impurity 56

CAT: 1299-RM-R052256-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R052256-01Size:10 mg
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CAS Number
1571-08-0
Synonyms
Methyl 4-formylbenzoate
Molecular Formula
C9H8O3
Molecular Weight
164.16
Target Alternative Name
Revefenacin
Product Name Synonym
Methyl 4-formylbenzoate

Chemical Information

Methyl 4-Formylbenzoate

Methyl-p-formylbenzoate appears as needles (in water) or white powder. (NTP, 1992)

CAS Number1571-08-0
PubChem CID15294
IUPAC Namemethyl 4-formylbenzoate
Molecular FormulaC9H8O3
Molecular Weight164.16
XLogP1.7
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity169
SMILES
COC(=O)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3
InChIKey
FEIOASZZURHTHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 4-Formylbenzoate
CAS: 1571-08-0
CID: 15294
Formula: C9H8O3
MW: 164.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.16
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass164.047344113
Monoisotopic Mass164.047344113
Topological Polar Surface Area43.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity169
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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