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802596-27-6 | 1H-Benz[de]isoquinoline,2,3-dihydro-5-methoxy-
CAS No: 802596-27-6 Catalog No: AG005N3H MDL No:
Product Description
Catalog Number:
AG005N3H
Chemical Name:
1H-Benz[de]isoquinoline,2,3-dihydro-5-methoxy-
CAS Number:
802596-27-6
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
5-methoxy-2,3-dihydro-1H-benzo[de]isoquinoline
InChI:
InChI=1S/C13H13NO/c1-15-12-5-9-3-2-4-10-7-14-8-11(6-12)13(9)10/h2-6,14H,7-8H2,1H3
InChI Key:
ZNCMCJHWGGXSLJ-UHFFFAOYSA-N
SMILES:
COc1cc2CNCc3c2c(c1)ccc3
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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