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199330-56-8 | Cycloheptanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS No: 199330-56-8 Catalog No: AG002C23 MDL No:MFCD03426130
Product Description
Catalog Number:
AG002C23
Chemical Name:
Cycloheptanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
199330-56-8
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
MDL Number:
MFCD03426130
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
InChI:
InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-13(10(15)16)8-6-4-5-7-9-13/h4-9H2,1-3H3,(H,14,17)(H,15,16)
InChI Key:
JCLYWYJWZJDMKY-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCCCCC1)C(=O)O)OC(C)(C)C
Properties
Complexity:
311
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:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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