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1392745-67-3 | Cyclohexanecarboxylic acid, 3-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1), (1S,3R,4R)-
CAS No: 1392745-67-3 Catalog No: AG001AMI MDL No:MFCD23106248
Product Description
Catalog Number:
AG001AMI
Chemical Name:
Cyclohexanecarboxylic acid, 3-amino-4-hydroxy-, ethyl ester, hydrochloride (1:1), (1S,3R,4R)-
CAS Number:
1392745-67-3
Molecular Formula:
C9H18ClNO3
Molecular Weight:
223.6971
MDL Number:
MFCD23106248
IUPAC Name:
ethyl (1S,3R,4R)-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+;/m0./s1
InChI Key:
ZEWLEQMKDHDCHV-HNPMAXIBSA-N
SMILES:
CCOC(=O)[C@H]1CC[C@H]([C@@H](C1)N)O.Cl
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
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