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179601-38-8 | Cyclohexanecarboxylic acid, 2-amino-, ethyl ester, (1S,2R)-
CAS No: 179601-38-8 Catalog No: AG002754 MDL No:MFCD12022649
Product Description
Catalog Number:
AG002754
Chemical Name:
Cyclohexanecarboxylic acid, 2-amino-, ethyl ester, (1S,2R)-
CAS Number:
179601-38-8
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
MDL Number:
MFCD12022649
IUPAC Name:
ethyl (1S,2R)-2-aminocyclohexane-1-carboxylate
InChI:
InChI=1S/C9H17NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8H,2-6,10H2,1H3/t7-,8+/m0/s1
InChI Key:
VODUKXHGDCJEOZ-JGVFFNPUSA-N
SMILES:
CCOC(=O)[C@H]1CCCC[C@H]1N
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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