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116622-38-9 | Cyclohexanebutanoic acid, α-amino-, (αS)-
CAS No: 116622-38-9 Catalog No: AG000CWE MDL No:MFCD18252744
Product Description
Catalog Number:
AG000CWE
Chemical Name:
Cyclohexanebutanoic acid, α-amino-, (αS)-
CAS Number:
116622-38-9
Molecular Formula:
C10H19NO2
Molecular Weight:
185.2634
MDL Number:
MFCD18252744
IUPAC Name:
(2S)-2-amino-4-cyclohexylbutanoic acid
InChI:
InChI=1S/C10H19NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h8-9H,1-7,11H2,(H,12,13)/t9-/m0/s1
InChI Key:
MXHKOHWUQAULOV-VIFPVBQESA-N
SMILES:
N[C@H](C(=O)O)CCC1CCCCC1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
185.142g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.267g/mol
Monoisotopic Mass:
185.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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