Tìm theo
4-Butyrolactone
Các tên gọi khác (2) :
  • 1,4-Lactone
  • dihydrofuran-2(3h)-one
solvents
Thuốc Gốc
Small Molecule
CAS: 187997-16-6
CTHH: C4H6O2
PTK: 86.0892
One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C4H6O2
Phân tử khối
86.0892
Monoisotopic mass
86.036779436
InChI
InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
InChI Key
InChIKey=YEJRWHAVMIAJKC-UHFFFAOYSA-N
IUPAC Name
oxolan-2-one
Traditional IUPAC Name
4-butyrolactone
SMILES
O=C1CCCO1
Độ hòa tan
2.38e+02 g/l
logP
0.15
logS
0.44
pKa (Strongest Basic)
-7
PSA
26.3 Å2
Refractivity
20.31 m3·mol-1
Polarizability
8.23 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
1
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04699
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=7302
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508619
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C01770
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