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84971-54-0 | Carbamic acid, (4-ethoxy-3,5-diethylphenyl)-, 1-methylethyl ester
CAS No: 84971-54-0 Catalog No: AG004UJR MDL No:
Product Description
Catalog Number:
AG004UJR
Chemical Name:
Carbamic acid, (4-ethoxy-3,5-diethylphenyl)-, 1-methylethyl ester
CAS Number:
84971-54-0
Molecular Formula:
C16H25NO3
Molecular Weight:
279.3746
IUPAC Name:
propan-2-yl N-(4-ethoxy-3,5-diethylphenyl)carbamate
InChI:
InChI=1S/C16H25NO3/c1-6-12-9-14(17-16(18)20-11(4)5)10-13(7-2)15(12)19-8-3/h9-11H,6-8H2,1-5H3,(H,17,18)
InChI Key:
ZINNJSILAUFVHY-UHFFFAOYSA-N
SMILES:
CCOc1c(CC)cc(cc1CC)NC(=O)OC(C)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.183g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.38g/mol
Monoisotopic Mass:
279.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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