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113932-77-7 | Carbamic acid, (3,4-diethoxyphenyl)-, butyl ester (9CI)
CAS No: 113932-77-7 Catalog No: AG000A45 MDL No:
Product Description
Catalog Number:
AG000A45
Chemical Name:
Carbamic acid, (3,4-diethoxyphenyl)-, butyl ester (9CI)
CAS Number:
113932-77-7
Molecular Formula:
C15H23NO4
Molecular Weight:
281.3474
IUPAC Name:
butyl N-(3,4-diethoxyphenyl)carbamate
InChI:
InChI=1S/C15H23NO4/c1-4-7-10-20-15(17)16-12-8-9-13(18-5-2)14(11-12)19-6-3/h8-9,11H,4-7,10H2,1-3H3,(H,16,17)
InChI Key:
YIRJWYDQEYPRIP-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Nc1ccc(c(c1)OCC)OCC
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.352g/mol
Monoisotopic Mass:
281.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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