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887592-01-0 | Benzenecarboximidicacid, 4-butyl-, ethyl ester
CAS No: 887592-01-0 Catalog No: AG004D9S MDL No:
Product Description
Catalog Number:
AG004D9S
Chemical Name:
Benzenecarboximidicacid, 4-butyl-, ethyl ester
CAS Number:
887592-01-0
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
IUPAC Name:
ethyl 4-butylbenzenecarboximidate
InChI:
InChI=1S/C13H19NO/c1-3-5-6-11-7-9-12(10-8-11)13(14)15-4-2/h7-10,14H,3-6H2,1-2H3
InChI Key:
QWKIQAYTNZWXGE-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(=N)OCC
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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