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84971-31-3 | Carbamic acid, (4-ethoxy-3-methyl-5-propylphenyl)-, 1-methylethyl ester
CAS No: 84971-31-3 Catalog No: AG004QK9 MDL No:
Product Description
Catalog Number:
AG004QK9
Chemical Name:
Carbamic acid, (4-ethoxy-3-methyl-5-propylphenyl)-, 1-methylethyl ester
CAS Number:
84971-31-3
Molecular Formula:
C16H25NO3
Molecular Weight:
279.3746
IUPAC Name:
propan-2-yl N-(4-ethoxy-3-methyl-5-propylphenyl)carbamate
InChI:
InChI=1S/C16H25NO3/c1-6-8-13-10-14(17-16(18)20-11(3)4)9-12(5)15(13)19-7-2/h9-11H,6-8H2,1-5H3,(H,17,18)
InChI Key:
DIZABAKDTMEZNG-UHFFFAOYSA-N
SMILES:
CCCc1cc(NC(=O)OC(C)C)cc(c1OCC)C
Properties
Complexity:
293
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:
4.3
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