Tìm theo
S,3-Hydroxybutan-2-One
Thuốc Gốc
Small Molecule
CAS: 513-86-0
CTHH: C4H8O2
PTK: 88.1051
A product of fermentation. It is a component of the butanediol cycle in microorganisms. In mammals it is oxidized to carbon dioxide. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C4H8O2
Phân tử khối
88.1051
Monoisotopic mass
88.0524295
InChI
InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1
InChI Key
InChIKey=ROWKJAVDOGWPAT-VKHMYHEASA-N
IUPAC Name
(3S)-3-hydroxybutan-2-one
Traditional IUPAC Name
S,3-hydroxybutan-2-one
SMILES
C[C@H](O)C(C)=O
Độ tan chảy
15 °C
Độ sôi
143 °C
Độ hòa tan
1E+006 mg/L (at 20 °C)
logP
-0.14
logS
0.73
pKa (strongest acidic)
13.72
pKa (Strongest Basic)
-3.4
PSA
37.3 Å2
Refractivity
22.39 m3·mol-1
Polarizability
9.06 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
0
Bioavailability
1
Rule of Five
true
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