methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate

methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate

CAS: 2152654-65-2

Formula: C17H23BO5

SMILES: COC(=O)C1CCC2=C(O1)C=CC(=C2)B1OC(C)(C)C(C)(C)O1

IUPAC: methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate

InChI: InChI=1/C17H23BO5/c1-16(2)17(3,4)23-18(22-16)12-7-9-13-11(10-12)6-8-14(21-13)15(19)20-5/h7,9-10,14H,6,8H2,1-5H3

Composition: C (64.17%), H (7.29%), B (3.40%), O (25.14%)

Molar Mass: 318.18

Atom Count: 46

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	318.163854
Formal Charge	0
FSP3	0.59
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	XVAVBWTVGGULEX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.69
Topological Polar Surface Area	53.99
Polarizability	33.92
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2152654-65-2		$40.35-$644.37$40.35$65.57$172.76$644.37