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189832-04-0 | Cycloheptene, 1-(2,3,4-trimethoxyphenyl)-
CAS No: 189832-04-0 Catalog No: AG002E1M MDL No:
Product Description
Catalog Number:
AG002E1M
Chemical Name:
Cycloheptene, 1-(2,3,4-trimethoxyphenyl)-
CAS Number:
189832-04-0
Molecular Formula:
C16H22O3
Molecular Weight:
262.3441
IUPAC Name:
1-(2,3,4-trimethoxyphenyl)cycloheptene
InChI:
InChI=1S/C16H22O3/c1-17-14-11-10-13(15(18-2)16(14)19-3)12-8-6-4-5-7-9-12/h8,10-11H,4-7,9H2,1-3H3
InChI Key:
GJJCDBAVAYEJSG-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1OC)OC)C1=CCCCCC1
NSC Number:
84509
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.349g/mol
Monoisotopic Mass:
262.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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