4-(3-methoxy-3-oxopropyl)phenylboronic acid

4-(3-methoxy-3-oxopropyl)phenylboronic acid

CAS: 850568-44-4

Formula: C10H13BO4

SMILES: COC(=O)CCC1=CC=C(C=C1)B(O)O

IUPAC: [4-(3-methoxy-3-oxopropyl)phenyl]boronic acid

InChI: InChI=1S/C10H13BO4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-3,5-6,13-14H,4,7H2,1H3

Composition: C (57.74%), H (6.30%), B (5.20%), O (30.76%)

Molar Mass: 208.02

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.090689
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XRKIHUXCUIFHAS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.28
Topological Polar Surface Area	66.76
Polarizability	21.67
Ring Count	1
Rotatable Bond Count	5

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