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93982-05-9 | 3,4-DIHYDRO-5-HYDROXY-1H-ISOQUINOLINE-2-CARBALDEHYDE
CAS No: 93982-05-9 Catalog No: AG005W5K MDL No:
Product Description
Catalog Number:
AG005W5K
Chemical Name:
3,4-DIHYDRO-5-HYDROXY-1H-ISOQUINOLINE-2-CARBALDEHYDE
CAS Number:
93982-05-9
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
InChI:
InChI=1S/C10H11NO2/c12-7-11-5-4-9-8(6-11)2-1-3-10(9)13/h1-3,7,13H,4-6H2
InChI Key:
REHVPMWAQZHMID-UHFFFAOYSA-N
SMILES:
O=CN1CCc2c(C1)cccc2O
EC Number:
301-194-2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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