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1259278-10-8 | Cyclohexanecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, (1R,3S)-
CAS No: 1259278-10-8 Catalog No: AG000OZ5 MDL No:MFCD20259654
Product Description
Catalog Number:
AG000OZ5
Chemical Name:
Cyclohexanecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, (1R,3S)-
CAS Number:
1259278-10-8
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
MDL Number:
MFCD20259654
IUPAC Name:
(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C15H19NO4/c17-14(18)12-7-4-8-13(9-12)16-15(19)20-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t12-,13+/m1/s1
InChI Key:
LTEORMGXUMWZCU-OLZOCXBDSA-N
SMILES:
O=C(N[C@H]1CCC[C@H](C1)C(=O)O)OCc1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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