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89736-62-9 | Carbamic acid, [1-[(acetyloxy)methyl]heptyl]-, ethyl ester
CAS No: 89736-62-9 Catalog No: AG00416I MDL No:
Product Description
Catalog Number:
AG00416I
Chemical Name:
Carbamic acid, [1-[(acetyloxy)methyl]heptyl]-, ethyl ester
CAS Number:
89736-62-9
Molecular Formula:
C13H25NO4
Molecular Weight:
259.3419
IUPAC Name:
2-(ethoxycarbonylamino)octyl acetate
InChI:
InChI=1S/C13H25NO4/c1-4-6-7-8-9-12(10-18-11(3)15)14-13(16)17-5-2/h12H,4-10H2,1-3H3,(H,14,16)
InChI Key:
KTDAAWZMBYPFMX-UHFFFAOYSA-N
SMILES:
CCCCCCC(NC(=O)OCC)COC(=O)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.346g/mol
Monoisotopic Mass:
259.178g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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