Tìm theo
4-(Carboxyvin-2-Yl)Phenylboronic Acid
Thuốc Gốc
Small Molecule
CTHH: C9H9BO4
PTK: 191.976
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
191.976
Monoisotopic mass
192.059389242
InChI
InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+
InChI Key
InChIKey=IEMLKNHGGSYOMP-ZZXKWVIFSA-N
IUPAC Name
(2E)-3-[4-(dihydroxyboranyl)phenyl]prop-2-enoic acid
Traditional IUPAC Name
(2E)-3-[4-(dihydroxyboranyl)phenyl]prop-2-enoic acid
SMILES
OB(O)C1=CC=C(\C=C\C(O)=O)C=C1
Độ hòa tan
2.08e-01 g/l
logP
1.99
logS
-3
pKa (strongest acidic)
3.66
pKa (Strongest Basic)
-5.4
PSA
77.76 Å2
Refractivity
47.61 m3·mol-1
Polarizability
19.8 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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