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18934-81-1 | Dodecanoic acid, 12-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS No: 18934-81-1 Catalog No: AG002IC9 MDL No:MFCD00235887
Product Description
Catalog Number:
AG002IC9
Chemical Name:
Dodecanoic acid, 12-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
18934-81-1
Molecular Formula:
C17H33NO4
Molecular Weight:
315.4482
MDL Number:
MFCD00235887
IUPAC Name:
12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecanoic acid
InChI:
InChI=1S/C17H33NO4/c1-17(2,3)22-16(21)18-14-12-10-8-6-4-5-7-9-11-13-15(19)20/h4-14H2,1-3H3,(H,18,21)(H,19,20)
InChI Key:
NNPOZNVKUHYVEJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.241g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.454g/mol
Monoisotopic Mass:
315.241g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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