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144692-05-7 | Acetaldehyde, 2-(3,4-dihydro-1(2H)-isoquinolinylidene)-
CAS No: 144692-05-7 Catalog No: AG001K0W MDL No:
Product Description
Catalog Number:
AG001K0W
Chemical Name:
Acetaldehyde, 2-(3,4-dihydro-1(2H)-isoquinolinylidene)-
CAS Number:
144692-05-7
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetaldehyde
InChI:
InChI=1S/C11H11NO/c13-8-6-11-10-4-2-1-3-9(10)5-7-12-11/h1-4,6,8,12H,5,7H2
InChI Key:
JNZBNGUGAIMJAE-UHFFFAOYSA-N
SMILES:
O=CC=C1NCCc2c1cccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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