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89216-25-1 | 1-Isoquinolineacetaldehyde, 2-formyl-1,2,3,4-tetrahydro-
CAS No: 89216-25-1 Catalog No: AG0088Q6 MDL No:
Product Description
Catalog Number:
AG0088Q6
Chemical Name:
1-Isoquinolineacetaldehyde, 2-formyl-1,2,3,4-tetrahydro-
CAS Number:
89216-25-1
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
1-(2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
InChI:
InChI=1S/C12H13NO2/c14-8-6-12-11-4-2-1-3-10(11)5-7-13(12)9-15/h1-4,8-9,12H,5-7H2
InChI Key:
BDYYVLIEXYPTTM-UHFFFAOYSA-N
SMILES:
O=CCC1N(C=O)CCc2c1cccc2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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