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87974-92-3 | Heptanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS No: 87974-92-3 Catalog No: AG004PAQ MDL No:
Product Description
Catalog Number:
AG004PAQ
Chemical Name:
Heptanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS Number:
87974-92-3
Molecular Formula:
C13H25NO4
Molecular Weight:
259.3419
IUPAC Name:
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate
InChI:
InChI=1S/C13H25NO4/c1-6-7-8-9-10(11(15)17-5)14-12(16)18-13(2,3)4/h10H,6-9H2,1-5H3,(H,14,16)
InChI Key:
RUNUKPJHZWNNRB-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)OC)NC(=O)OC(C)(C)C
Properties
Complexity:
271
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:
9
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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