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162046-58-4 | Cyclohexanecarboxylic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-
CAS No: 162046-58-4 Catalog No: AG001SO3 MDL No:MFCD01862289
Product Description
Catalog Number:
AG001SO3
Chemical Name:
Cyclohexanecarboxylic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-
CAS Number:
162046-58-4
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
MDL Number:
MFCD01862289
IUPAC Name:
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-9-4-6-10(7-5-9)11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChI Key:
AZEKNJGFCSHZID-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCC(CC1)C(=O)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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