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84972-15-6 | Carbamic acid, (3,4,5-triethoxyphenyl)-, 1-methylethyl ester
CAS No: 84972-15-6 Catalog No: AG004QK1 MDL No:
Product Description
Catalog Number:
AG004QK1
Chemical Name:
Carbamic acid, (3,4,5-triethoxyphenyl)-, 1-methylethyl ester
CAS Number:
84972-15-6
Molecular Formula:
C16H25NO5
Molecular Weight:
311.3734
IUPAC Name:
propan-2-yl N-(3,4,5-triethoxyphenyl)carbamate
InChI:
InChI=1S/C16H25NO5/c1-6-19-13-9-12(17-16(18)22-11(4)5)10-14(20-7-2)15(13)21-8-3/h9-11H,6-8H2,1-5H3,(H,17,18)
InChI Key:
PAXZNGWRKUMMOD-UHFFFAOYSA-N
SMILES:
CCOc1cc(NC(=O)OC(C)C)cc(c1OCC)OCC
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.378g/mol
Monoisotopic Mass:
311.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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