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89078-37-5 | Carbamic acid, (3,5-diethoxyphenyl)-, 1-methylethyl ester
CAS No: 89078-37-5 Catalog No: AG0040XK MDL No:
Product Description
Catalog Number:
AG0040XK
Chemical Name:
Carbamic acid, (3,5-diethoxyphenyl)-, 1-methylethyl ester
CAS Number:
89078-37-5
Molecular Formula:
C14H21NO4
Molecular Weight:
267.3208
IUPAC Name:
propan-2-yl N-(3,5-diethoxyphenyl)carbamate
InChI:
InChI=1S/C14H21NO4/c1-5-17-12-7-11(8-13(9-12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)
InChI Key:
VBQQMLIQTPMCDI-UHFFFAOYSA-N
SMILES:
CCOc1cc(NC(=O)OC(C)C)cc(c1)OCC
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.325g/mol
Monoisotopic Mass:
267.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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