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138310-04-0 | Carbamic acid, diethyl-, 4-phenoxy-2-butynyl ester (9CI)
CAS No: 138310-04-0 Catalog No: AG0018I8 MDL No:
Product Description
Catalog Number:
AG0018I8
Chemical Name:
Carbamic acid, diethyl-, 4-phenoxy-2-butynyl ester (9CI)
CAS Number:
138310-04-0
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
4-phenoxybut-2-ynyl N,N-diethylcarbamate
InChI:
InChI=1S/C15H19NO3/c1-3-16(4-2)15(17)19-13-9-8-12-18-14-10-6-5-7-11-14/h5-7,10-11H,3-4,12-13H2,1-2H3
InChI Key:
KEUMNXTVTSPXRM-UHFFFAOYSA-N
SMILES:
CCN(C(=O)OCC#CCOc1ccccc1)CC
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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