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2-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]phenylboronic acid

2-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]phenylboronic acid

CAS: 372193-68-5

Formula: C10H11BO4

SMILES: COC(=O)C=CC1=CC=CC=C1B(O)O

IUPAC: {2-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]phenyl}boronic acid

InChI: InChI=1S/C10H11BO4/c1-15-10(12)7-6-8-4-2-3-5-9(8)11(13)14/h2-7,13-14H,1H3/b7-6+

Composition: C (58.30%), H (5.38%), B (5.25%), O (31.07%)

Molar Mass: 206

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 206.075039
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey WUEIYHVPDHJGLC-VOTSOKGWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.37
Topological Polar Surface Area 66.76
Polarizability 21.43
Ring Count 1
Rotatable Bond Count 4

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