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146174-73-4 | Hexanoic acid, 5-methyl-4-(6-phenanthridinylmethoxy)-, methyl ester
CAS No: 146174-73-4 Catalog No: AG001DS3 MDL No:
Product Description
Catalog Number:
AG001DS3
Chemical Name:
Hexanoic acid, 5-methyl-4-(6-phenanthridinylmethoxy)-, methyl ester
CAS Number:
146174-73-4
Molecular Formula:
C22H25NO3
Molecular Weight:
351.4388
IUPAC Name:
methyl 5-methyl-4-(phenanthridin-6-ylmethoxy)hexanoate
InChI:
InChI=1S/C22H25NO3/c1-15(2)21(12-13-22(24)25-3)26-14-20-18-10-5-4-8-16(18)17-9-6-7-11-19(17)23-20/h4-11,15,21H,12-14H2,1-3H3
InChI Key:
NDWXUWCRKQQKPI-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(C(C)C)OCc1nc2ccccc2c2c1cccc2
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.183g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.446g/mol
Monoisotopic Mass:
351.183g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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