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17193-39-4 | (S)-(-)-Cyclohexylalanine methyl ester hydrochloride
CAS No: 17193-39-4 Catalog No: AG00390C MDL No:
Product Description
Catalog Number:
AG00390C
Chemical Name:
(S)-(-)-Cyclohexylalanine methyl ester hydrochloride
CAS Number:
17193-39-4
Molecular Formula:
C10H20ClNO2
Molecular Weight:
221.7243
IUPAC Name:
methyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
InChI:
InChI=1S/C10H19NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h8-9H,2-7,11H2,1H3;1H/t9-;/m0./s1
InChI Key:
YLESODBCBYZUCT-FVGYRXGTSA-N
SMILES:
COC(=O)[C@@H](NC1CCCCC1)C.Cl
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
221.118g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.725g/mol
Monoisotopic Mass:
221.118g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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