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84972-30-5 | Carbamic acid, (3-cyano-4-ethoxy-5-methylphenyl)-, 1-methylethyl ester
CAS No: 84972-30-5 Catalog No: AG004QJY MDL No:
Product Description
Catalog Number:
AG004QJY
Chemical Name:
Carbamic acid, (3-cyano-4-ethoxy-5-methylphenyl)-, 1-methylethyl ester
CAS Number:
84972-30-5
Molecular Formula:
C14H18N2O3
Molecular Weight:
262.3043
IUPAC Name:
propan-2-yl N-(3-cyano-4-ethoxy-5-methylphenyl)carbamate
InChI:
InChI=1S/C14H18N2O3/c1-5-18-13-10(4)6-12(7-11(13)8-15)16-14(17)19-9(2)3/h6-7,9H,5H2,1-4H3,(H,16,17)
InChI Key:
JWBYNRPSHPWJKM-UHFFFAOYSA-N
SMILES:
CCOc1c(C)cc(cc1C#N)NC(=O)OC(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.309g/mol
Monoisotopic Mass:
262.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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