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921761-09-3 | 2-Naphthalenecarboxylic acid, 8-methoxy-4-(4-morpholinyl)-
CAS No: 921761-09-3 Catalog No: AG006GPC MDL No:
Product Description
Catalog Number:
AG006GPC
Chemical Name:
2-Naphthalenecarboxylic acid, 8-methoxy-4-(4-morpholinyl)-
CAS Number:
921761-09-3
Molecular Formula:
C16H17NO4
Molecular Weight:
287.3105
IUPAC Name:
8-methoxy-4-morpholin-4-ylnaphthalene-2-carboxylic acid
InChI:
InChI=1S/C16H17NO4/c1-20-15-4-2-3-12-13(15)9-11(16(18)19)10-14(12)17-5-7-21-8-6-17/h2-4,9-10H,5-8H2,1H3,(H,18,19)
InChI Key:
WLHJAOALIIWDOU-UHFFFAOYSA-N
SMILES:
COc1cccc2c1cc(cc2N1CCOCC1)C(=O)O
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.315g/mol
Monoisotopic Mass:
287.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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