Tìm theo
2-Phenyl-Ethanol
Thuốc Gốc
Small Molecule
CAS: 60-12-8
CTHH: C8H10O
PTK: 122.1644
An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H10O
Phân tử khối
122.1644
Monoisotopic mass
122.073164942
InChI
InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key
InChIKey=WRMNZCZEMHIOCP-UHFFFAOYSA-N
IUPAC Name
2-phenylethan-1-ol
Traditional IUPAC Name
2-phenyl-ethanol
SMILES
OCCC1=CC=CC=C1
Độ tan chảy
-27 °C
Độ sôi
218.2 °C
Độ hòa tan
2.22E+004 mg/L (at 25 °C)
logP
1.36
logS
-1
pKa (strongest acidic)
15.88
pKa (Strongest Basic)
-2.4
PSA
20.23 Å2
Refractivity
37.63 m3·mol-1
Polarizability
13.87 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
1
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02192
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6054
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506001
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C05853
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D00192
ChemSpider
http://www.chemspider.com/Chemical-Structure.5830.html
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