2-propoxyphenylboronic acid

2-propoxyphenylboronic acid

CAS: 134896-34-7

Formula: C9H13BO3

SMILES: CCCOC1=CC=CC=C1B(O)O

IUPAC: (2-propoxyphenyl)boronic acid

InChI: InChI=1S/C9H13BO3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6,11-12H,2,7H2,1H3

Composition: C (60.05%), H (7.28%), B (6.01%), O (26.66%)

Molar Mass: 180.01

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.095774
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZDPMWYOVDLDQDT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.34
Topological Polar Surface Area	49.69
Polarizability	19.73
Ring Count	1
Rotatable Bond Count	4

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