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84972-29-2 | Carbamic acid, (3-cyano-4,5-diethoxyphenyl)-, 1-methylethyl ester
CAS No: 84972-29-2 Catalog No: AG004QJZ MDL No:
Product Description
Catalog Number:
AG004QJZ
Chemical Name:
Carbamic acid, (3-cyano-4,5-diethoxyphenyl)-, 1-methylethyl ester
CAS Number:
84972-29-2
Molecular Formula:
C15H20N2O4
Molecular Weight:
292.3303
IUPAC Name:
propan-2-yl N-(3-cyano-4,5-diethoxyphenyl)carbamate
InChI:
InChI=1S/C15H20N2O4/c1-5-19-13-8-12(17-15(18)21-10(3)4)7-11(9-16)14(13)20-6-2/h7-8,10H,5-6H2,1-4H3,(H,17,18)
InChI Key:
RCNKLXGTKOZZCM-UHFFFAOYSA-N
SMILES:
CCOc1cc(NC(=O)OC(C)C)cc(c1OCC)C#N
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.335g/mol
Monoisotopic Mass:
292.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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