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113932-78-8 | Carbamic acid, (3,4-diethoxyphenyl)-, cyclopentyl ester (9CI)
CAS No: 113932-78-8 Catalog No: AG000A44 MDL No:
Product Description
Catalog Number:
AG000A44
Chemical Name:
Carbamic acid, (3,4-diethoxyphenyl)-, cyclopentyl ester (9CI)
CAS Number:
113932-78-8
Molecular Formula:
C16H23NO4
Molecular Weight:
293.3581
IUPAC Name:
cyclopentyl N-(3,4-diethoxyphenyl)carbamate
InChI:
InChI=1S/C16H23NO4/c1-3-19-14-10-9-12(11-15(14)20-4-2)17-16(18)21-13-7-5-6-8-13/h9-11,13H,3-8H2,1-2H3,(H,17,18)
InChI Key:
FFQSWQFBHVKBHI-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCC)NC(=O)OC1CCCC1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.363g/mol
Monoisotopic Mass:
293.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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