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3-Methacrylamidophenylboronic acid

CAT: 0024-sc-289181Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-289181Size:1 g
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CAS Number
48150-45-4

Chemical Information

3-Methacrylamidophenylboronic Acid

structure in first source

CAS Number48150-45-4
PubChem CID3016474
IUPAC Name[3-(2-methylprop-2-enoylamino)phenyl]boronic acid
Molecular FormulaC10H12BNO3
Molecular Weight205.02
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity255
SMILES
B(C1=CC(=CC=C1)NC(=O)C(=C)C)(O)O
InChI
InChI=1S/C10H12BNO3/c1-7(2)10(13)12-9-5-3-4-8(6-9)11(14)15/h3-6,14-15H,1H2,2H3,(H,12,13)
InChIKey
GBBUBIKYAQLESK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methacrylamidophenylboronic Acid
CAS: 48150-45-4
CID: 3016474
Formula: C10H12BNO3
MW: 205.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.02
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass205.0910234
Monoisotopic Mass205.0910234
Topological Polar Surface Area69.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity255
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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