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Home > Aldehydes > 112945-14-9
112945-14-9 | 2(1H)-Isoquinolinecarboxaldehyde, 7-methoxy-6-(phenylmethoxy)-
CAS No: 112945-14-9 Catalog No: AG0078IE MDL No:
Product Description
Catalog Number:
AG0078IE
Chemical Name:
2(1H)-Isoquinolinecarboxaldehyde, 7-methoxy-6-(phenylmethoxy)-
CAS Number:
112945-14-9
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
7-methoxy-6-phenylmethoxy-1H-isoquinoline-2-carbaldehyde
InChI:
InChI=1S/C18H17NO3/c1-21-17-10-16-11-19(13-20)8-7-15(16)9-18(17)22-12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3
InChI Key:
UAOQYFJEJDHFPC-UHFFFAOYSA-N
SMILES:
O=CN1C=Cc2c(C1)cc(c(c2)OCc1ccccc1)OC
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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