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126474-24-6 | 3-Cyclohexene-1-carboxylic acid, 6-amino-, ethyl ester, (1R,6R)-rel-
CAS No: 126474-24-6 Catalog No: AG000SU4 MDL No:MFCD09260358
Product Description
Catalog Number:
AG000SU4
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 6-amino-, ethyl ester, (1R,6R)-rel-
CAS Number:
126474-24-6
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
MDL Number:
MFCD09260358
IUPAC Name:
ethyl (1R,6R)-6-aminocyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C9H15NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-4,7-8H,2,5-6,10H2,1H3/t7-,8-/m1/s1
InChI Key:
PTXUIEXYXGXMEU-HTQZYQBOSA-N
SMILES:
CCOC(=O)[C@@H]1CC=CC[C@H]1N
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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