Tìm theo
3-phenylpropionic acid
Các tên gọi khác (6 ) :
  • 3-Phenyl-propionic acid
  • 3-Phenylpropanoic acid
  • 3PP
  • beta-Phenylpropionic acid
  • Hydrocinnamic acid
  • Phenylpropanoate
Thuốc Gốc
Small Molecule
CAS: 501-52-0
CTHH: C9H10O2
PTK: 150.1745
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H10O2
Phân tử khối
150.1745
Monoisotopic mass
150.068079564
InChI
InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChI Key
InChIKey=XMIIGOLPHOKFCH-UHFFFAOYSA-N
IUPAC Name
3-phenylpropanoic acid
Traditional IUPAC Name
3-phenylpropionic acid
SMILES
OC(=O)CCC1=CC=CC=C1
Độ tan chảy
107 °C
Độ sôi
279.8 °C
Độ hòa tan
5900 mg/L (at 20 °C)
logP
1.84
logS
-1.9
pKa (strongest acidic)
4.73
PSA
37.3 Å2
Refractivity
41.97 m3·mol-1
Polarizability
15.94 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
pKa
4.66 (at 18 °C)
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02024
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=107
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506078
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C05629
ChemSpider
http://www.chemspider.com/Chemical-Structure.10181339.html
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