3-(cyclopropylmethoxy)-5-(methoxycarbonyl)phenylboronic acid

3-(cyclopropylmethoxy)-5-(methoxycarbonyl)phenylboronic acid

Formula: C12H15BO5

SMILES: COC(=O)C1=CC(OCC2CC2)=CC(=C1)B(O)O

IUPAC: [3-(cyclopropylmethoxy)-5-(methoxycarbonyl)phenyl]boronic acid

InChI: InChI=1S/C12H15BO5/c1-17-12(14)9-4-10(13(15)16)6-11(5-9)18-7-8-2-3-8/h4-6,8,15-16H,2-3,7H2,1H3

Composition: C (57.64%), H (6.05%), B (4.32%), O (31.99%)

Molar Mass: 250.06

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	250.101254
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	GRHVJRMZLXKZAJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.03
Topological Polar Surface Area	75.99
Polarizability	25.3
Ring Count	2
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H15BO5		Quote Only