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1228542-19-5 | Cycloheptaneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-
CAS No: 1228542-19-5 Catalog No: AG000JLF MDL No:
Product Description
Catalog Number:
AG000JLF
Chemical Name:
Cycloheptaneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-
CAS Number:
1228542-19-5
Molecular Formula:
C14H25NO4
Molecular Weight:
271.3526
IUPAC Name:
(2S)-2-cycloheptyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-11(12(16)17)10-8-6-4-5-7-9-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChI Key:
ADXRJYZTIHABDG-NSHDSACASA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C1CCCCCC1)C(=O)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
271.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.357g/mol
Monoisotopic Mass:
271.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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