3-{[3-(dihydroxyboranyl)phenyl]carbamoyl}propanoic acid

3-{[3-(dihydroxyboranyl)phenyl]carbamoyl}propanoic acid

CAS: 31754-00-4

Formula: C10H12BNO5

SMILES: OB(O)C1=CC(NC(=O)CCC(O)=O)=CC=C1

IUPAC: 3-{[3-(dihydroxyboranyl)phenyl]carbamoyl}propanoic acid

InChI: InChI=1S/C10H12BNO5/c13-9(4-5-10(14)15)12-8-3-1-2-7(6-8)11(16)17/h1-3,6,16-17H,4-5H2,(H,12,13)(H,14,15)

Composition: C (50.68%), H (5.10%), B (4.56%), N (5.91%), O (33.75%)

Molar Mass: 237.02

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	237.080852
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
InChIKey	SVHXAKJLLKGJGC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.36
Topological Polar Surface Area	106.86
Polarizability	22.69
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	31754-00-4		$25.22-$267.33$25.22$66.83$267.33