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116680-85-4 | Propanamide, N-(1,2,3,4-tetrahydro-6,7-dimethoxy-2-naphthalenyl)-
CAS No: 116680-85-4 Catalog No: AG000CZ1 MDL No:
Product Description
Catalog Number:
AG000CZ1
Chemical Name:
Propanamide, N-(1,2,3,4-tetrahydro-6,7-dimethoxy-2-naphthalenyl)-
CAS Number:
116680-85-4
Molecular Formula:
C15H21NO3
Molecular Weight:
263.3321
IUPAC Name:
N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
InChI:
InChI=1S/C15H21NO3/c1-4-15(17)16-12-6-5-10-8-13(18-2)14(19-3)9-11(10)7-12/h8-9,12H,4-7H2,1-3H3,(H,16,17)
InChI Key:
SMROFJRIFRUZTH-UHFFFAOYSA-N
SMILES:
CCC(=O)NC1CCc2c(C1)cc(c(c2)OC)OC
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.337g/mol
Monoisotopic Mass:
263.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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