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870888-45-2 | 1-Naphthalenecarboxylic acid, 4-(1-pyrrolidinyl)-, ethyl ester
CAS No: 870888-45-2 Catalog No: AG004LKQ MDL No:
Product Description
Catalog Number:
AG004LKQ
Chemical Name:
1-Naphthalenecarboxylic acid, 4-(1-pyrrolidinyl)-, ethyl ester
CAS Number:
870888-45-2
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
IUPAC Name:
ethyl 4-pyrrolidin-1-ylnaphthalene-1-carboxylate
InChI:
InChI=1S/C17H19NO2/c1-2-20-17(19)15-9-10-16(18-11-5-6-12-18)14-8-4-3-7-13(14)15/h3-4,7-10H,2,5-6,11-12H2,1H3
InChI Key:
ADXKPUJWWSRVGR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c2c1cccc2)N1CCCC1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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