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79011-27-1 | 2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-methyl-
CAS No: 79011-27-1 Catalog No: AG0054HR MDL No:
Product Description
Catalog Number:
AG0054HR
Chemical Name:
2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-methyl-
CAS Number:
79011-27-1
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
1-methyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
InChI:
InChI=1S/C11H13NO/c1-9-11-5-3-2-4-10(11)6-7-12(9)8-13/h2-5,8-9H,6-7H2,1H3
InChI Key:
BGZOPNZLVKGQNO-UHFFFAOYSA-N
SMILES:
O=CN1CCc2c(C1C)cccc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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