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14894-77-0 | Benzonitrile, 2,4,5-trimethoxy-
CAS No: 14894-77-0 Catalog No: AG001LAX MDL No:MFCD00017530
Product Description
Catalog Number:
AG001LAX
Chemical Name:
Benzonitrile, 2,4,5-trimethoxy-
CAS Number:
14894-77-0
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD00017530
IUPAC Name:
2,4,5-trimethoxybenzonitrile
InChI:
InChI=1S/C10H11NO3/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-5H,1-3H3
InChI Key:
QYLMOMNYCPHSJW-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)c(cc1OC)OC
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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