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441065-33-4 | 2-N-Boc-5-formyl-3,4-dihydro-1H-isoquinoline
CAS No: 441065-33-4 Catalog No: AG00DJUQ MDL No:MFCD10700125
Product Description
Catalog Number:
AG00DJUQ
Chemical Name:
2-N-Boc-5-formyl-3,4-dihydro-1H-isoquinoline
CAS Number:
441065-33-4
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
MDL Number:
MFCD10700125
IUPAC Name:
tert-butyl 5-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI:
InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-8-7-13-11(9-16)5-4-6-12(13)10-17/h4-6,10H,7-9H2,1-3H3
InChI Key:
QWUSESRHYCFCOW-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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