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3-formyl-5-methyl-2-propoxyphenylboronic acid

3-formyl-5-methyl-2-propoxyphenylboronic acid

CAS: 480424-53-1

Formula: C11H15BO4

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

IUPAC: (3-formyl-5-methyl-2-propoxyphenyl)boronic acid

InChI: InChI=1S/C11H15BO4/c1-3-4-16-11-9(7-13)5-8(2)6-10(11)12(14)15/h5-7,14-15H,3-4H2,1-2H3

Composition: C (59.50%), H (6.81%), B (4.87%), O (28.82%)

Molar Mass: 222.05

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 222.106339
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey VLCOLNKROICTJC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.96
Topological Polar Surface Area 66.76
Polarizability 23.4
Ring Count 1
Rotatable Bond Count 5

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Purity (%)
-
Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 480424-53-1 $232.30-$491.05$232.30$491.05
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