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88138-08-3 | Carbamic acid, [4-[3-(1H-imidazol-1-yl)propoxy]phenyl]-, ethyl ester
CAS No: 88138-08-3 Catalog No: AG008C3C MDL No:
Product Description
Catalog Number:
AG008C3C
Chemical Name:
Carbamic acid, [4-[3-(1H-imidazol-1-yl)propoxy]phenyl]-, ethyl ester
CAS Number:
88138-08-3
Molecular Formula:
C15H19N3O3
Molecular Weight:
289.3297
IUPAC Name:
ethyl N-[4-(3-imidazol-1-ylpropoxy)phenyl]carbamate
InChI:
InChI=1S/C15H19N3O3/c1-2-20-15(19)17-13-4-6-14(7-5-13)21-11-3-9-18-10-8-16-12-18/h4-8,10,12H,2-3,9,11H2,1H3,(H,17,19)
InChI Key:
MEWMYSYQNZXXST-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1ccc(cc1)OCCCn1cncc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.335g/mol
Monoisotopic Mass:
289.143g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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