Tìm theo
trans-2-hydroxycinnamic acid
Các tên gọi khác (18 ) :
  • (2E)-3-(2-Hydroxyphenyl)-2-propenoic acid
  • (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID
  • (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid
  • (E)-3-(2-Hydroxyphenyl)-2-propenoic acid
  • (e)-o-hydroxycinnamic acid
  • 2-Coumarate
  • 2-Coumaric acid
  • 2-Hydroxycinnamate
  • 2-Hydroxycinnamic acid
  • 3-(2-hydroxyphenyl)acrylic acid
  • 3-(2-hydroxyphenyl)prop-2-enoic acid
  • O-Coumaric Acid
  • O-hydroxy-trans-cinnamic acid
  • O-hydroxycinnamic acid
  • Ortho-hydroxycinnamic acid
  • trans-2-Hydroxycinnamate
  • Trans-o-coumaric acid
  • Trans-o-hydroxycinnamic acid
Thuốc Gốc
Small Molecule
CAS: 614-60-8
CTHH: C9H8O3
PTK: 164.158
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H8O3
Phân tử khối
164.158
Monoisotopic mass
164.047344122
InChI
InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
InChI Key
InChIKey=PMOWTIHVNWZYFI-AATRIKPKSA-N
IUPAC Name
(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid
Traditional IUPAC Name
O-coumaric acid
SMILES
OC(=O)\C=C\C1=CC=CC=C1O
Độ tan chảy
217 dec °C
Độ hòa tan
1.15e+00 g/l
logP
1.83
logS
-2.1
pKa (strongest acidic)
4.04
pKa (Strongest Basic)
-6
PSA
57.53 Å2
Refractivity
45.04 m3·mol-1
Polarizability
16.11 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01650
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=637540
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505688
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C01772
ChemSpider
http://www.chemspider.com/Chemical-Structure.553146.html
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