Home Carboxys Cyclohexanecarboxylic acid, 3-amino-4-hydroxy-, ethyl ester, (1R,3S,4S)-

Cyclohexanecarboxylic acid, 3-amino-4-hydroxy-, ethyl ester, (1R,3S,4S)-

CAS No.:
1392878-99-7
Catalog Number:
AG001ANW
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
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Product Description
Catalog Number:
AG001ANW
Chemical Name:
Cyclohexanecarboxylic acid, 3-amino-4-hydroxy-, ethyl ester, (1R,3S,4S)-
CAS Number:
1392878-99-7
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
MDL Number:
MFCD23106249
IUPAC Name:
ethyl (1R,3S,4S)-3-amino-4-hydroxycyclohexane-1-carboxylate;hydrochloride
InChI:
InChI=1S/C9H17NO3.ClH/c1-2-13-9(12)6-3-4-8(11)7(10)5-6;/h6-8,11H,2-5,10H2,1H3;1H/t6-,7+,8+;/m1./s1
InChI Key:
ZEWLEQMKDHDCHV-MWDCIYOWSA-N
SMILES:
CCOC(=O)[C@@H]1CC[C@@H]([C@H](C1)N)O
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
223.098g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
223.697g/mol
Monoisotopic Mass:
223.098g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties