3-methoxy-5-propoxyphenylboronic acid

3-methoxy-5-propoxyphenylboronic acid

CAS: 1256355-14-2

Formula: C10H15BO4

SMILES: CCCOC1=CC(OC)=CC(=C1)B(O)O

IUPAC: (3-methoxy-5-propoxyphenyl)boronic acid

InChI: InChI=1S/C10H15BO4/c1-3-4-15-10-6-8(11(12)13)5-9(7-10)14-2/h5-7,12-13H,3-4H2,1-2H3

Composition: C (57.19%), H (7.20%), B (5.15%), O (30.47%)

Molar Mass: 210.04

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	210.106339
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ANJXKRYTZHDYKI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.8
Topological Polar Surface Area	58.92
Polarizability	22.26
Ring Count	1
Rotatable Bond Count	5

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