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Ambrisentan Impurity 10

CAT: 1299-RM-A131810-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A131810-01Size:10 mg
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CAS Number
178306-51-9
Synonyms
2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
Molecular Formula
C16H16O4
Molecular Weight
272.3
Target Alternative Name
Ambrisentan
Product Name Synonym
2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid

Chemical Information

2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid
CAS Number178306-51-9
PubChem CID9881947
IUPAC Name2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
Molecular FormulaC16H16O4
Molecular Weight272.29
XLogP2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity298
SMILES
COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C(=O)O)O
InChI
InChI=1S/C16H16O4/c1-20-16(14(17)15(18)19,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14,17H,1H3,(H,18,19)
InChIKey
RQJWOLFMWKZKCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid
CAS: 178306-51-9
CID: 9881947
Formula: C16H16O4
MW: 272.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight272.29
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass272.10485899
Monoisotopic Mass272.10485899
Topological Polar Surface Area66.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity298
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