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71046-35-0 | 6,7-dimethoxyisoquinoline-1-carbaldehyde
CAS No: 71046-35-0 Catalog No: AG005ESK MDL No:MFCD18262145
Product Description
Catalog Number:
AG005ESK
Chemical Name:
6,7-dimethoxyisoquinoline-1-carbaldehyde
CAS Number:
71046-35-0
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD18262145
IUPAC Name:
6,7-dimethoxyisoquinoline-1-carbaldehyde
InChI:
InChI=1S/C12H11NO3/c1-15-11-5-8-3-4-13-10(7-14)9(8)6-12(11)16-2/h3-7H,1-2H3
InChI Key:
UHZKUBULBNDNTD-UHFFFAOYSA-N
SMILES:
COc1cc2c(C=O)nccc2cc1OC
NSC Number:
147811
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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