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2-(methoxycarbonyl)thiophen-3-ylboronic acid

2-(methoxycarbonyl)thiophen-3-ylboronic acid

CAS: 1596339-08-0

Formula: C6H7BO4S

SMILES: COC(=O)C1=C(C=CS1)B(O)O

IUPAC: [2-(methoxycarbonyl)thiophen-3-yl]boronic acid

InChI: InChI=1S/C6H7BO4S/c1-11-6(8)5-4(7(9)10)2-3-12-5/h2-3,9-10H,1H3

Composition: C (38.75%), H (3.79%), B (5.81%), O (34.41%), S (17.24%)

Molar Mass: 185.99

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 186.01581
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey OAUMKPSCWRACHH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.52
Topological Polar Surface Area 66.76
Polarizability 16.77
Ring Count 1
Rotatable Bond Count 3

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