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189937-05-1 | Carbonic acid, 8-[(methoxycarbonyl)-2-propyn-1-ylamino]-2-naphthalenyl methyl ester
CAS No: 189937-05-1 Catalog No: AG002E58 MDL No:
Product Description
Catalog Number:
AG002E58
Chemical Name:
Carbonic acid, 8-[(methoxycarbonyl)-2-propyn-1-ylamino]-2-naphthalenyl methyl ester
CAS Number:
189937-05-1
Molecular Formula:
C17H15NO5
Molecular Weight:
313.3047
IUPAC Name:
[8-[methoxycarbonyl(prop-2-ynyl)amino]naphthalen-2-yl]methyl carbonate
InChI:
InChI=1S/C17H15NO5/c1-3-9-18(16(19)22-2)15-6-4-5-13-8-7-12(10-14(13)15)11-23-17(20)21/h1,4-8,10H,9,11H2,2H3,(H,20,21)/p-1
InChI Key:
JFKDNFVAHVTFBE-UHFFFAOYSA-M
SMILES:
C#CCN(c1cccc2c1cc(cc2)OC(=O)OC)C(=O)OC
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.087g/mol
Formal Charge:
-1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.301g/mol
Monoisotopic Mass:
312.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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