3-Methacrylamidophenylboronic Acid - CAS 48150-45-4

Catalog:	BB026501
Product Name:	3-Methacrylamidophenylboronic Acid
CAS:	48150-45-4
Synonyms:	[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl]boronic acid; [3-(2-methylprop-2-enoylamino)phenyl]boronic acid

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Computed Properties

IUPAC Name:	[3-(2-methylprop-2-enoylamino)phenyl]boronic acid
Description:	3-Methacrylamidophenylboronic Acid (CAS# 48150-45-4) is a useful research chemical.
Molecular Weight:	205.02
Molecular Formula:	C10H12NO3B
Canonical 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)
InChI Key:	GBBUBIKYAQLESK-UHFFFAOYSA-N
Density:	1.18±0.1 g/cm³(Predicted)
Appearance:	White to light yellow powder to crystal
LogP:	-0.04600

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.0910234
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	205.0910234
Rotatable Bond Count:	3
Topological Polar Surface Area:	69.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0