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124753-65-7 | 3-Cyclohexene-1-carboxylic acid, 6-[[(phenylmethoxy)carbonyl]amino]-, (1R,6S)-rel-
CAS No: 124753-65-7 Catalog No: AG000MPP MDL No:MFCD01863246
Product Description
Catalog Number:
AG000MPP
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 6-[[(phenylmethoxy)carbonyl]amino]-, (1R,6S)-rel-
CAS Number:
124753-65-7
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
MDL Number:
MFCD01863246
IUPAC Name:
(1R,6S)-6-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C15H17NO4/c17-14(18)12-8-4-5-9-13(12)16-15(19)20-10-11-6-2-1-3-7-11/h1-7,12-13H,8-10H2,(H,16,19)(H,17,18)/t12-,13+/m1/s1
InChI Key:
QIAAZWPFGHTXNZ-OLZOCXBDSA-N
SMILES:
O=C(N[C@H]1CC=CC[C@H]1C(=O)O)OCc1ccccc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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