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61475-31-8 | (S)-(+)-Hexahydromandelic acid
CAS No: 61475-31-8 Catalog No: AG003CHS MDL No:
Product Description
Catalog Number:
AG003CHS
Chemical Name:
(S)-(+)-Hexahydromandelic acid
CAS Number:
61475-31-8
IUPAC Name:
(2S)-2-cyclohexyl-2-hydroxyacetic acid
InChI:
InChI=1S/C8H14O3/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7,9H,1-5H2,(H,10,11)/t7-/m0/s1
InChI Key:
RRDPWAPIJGSANI-ZETCQYMHSA-N
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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