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84971-10-8 | Carbamic acid, (4-ethoxy-3,5-dimethylphenyl)-, 1-methylbutyl ester
CAS No: 84971-10-8 Catalog No: AG004QKC MDL No:
Product Description
Catalog Number:
AG004QKC
Chemical Name:
Carbamic acid, (4-ethoxy-3,5-dimethylphenyl)-, 1-methylbutyl ester
CAS Number:
84971-10-8
Molecular Formula:
C16H25NO3
Molecular Weight:
279.3746
IUPAC Name:
pentan-2-yl N-(4-ethoxy-3,5-dimethylphenyl)carbamate
InChI:
InChI=1S/C16H25NO3/c1-6-8-13(5)20-16(18)17-14-9-11(3)15(19-7-2)12(4)10-14/h9-10,13H,6-8H2,1-5H3,(H,17,18)
InChI Key:
FOPHQFJCXBWQQG-UHFFFAOYSA-N
SMILES:
CCCC(OC(=O)Nc1cc(C)c(c(c1)C)OCC)C
Properties
Complexity:
283
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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