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23369-01-9 | Cyclohexanecarboxylic acid, 3-hydroxy-, (1R,3R)-rel-
CAS No: 23369-01-9 Catalog No: AG002MZS MDL No:MFCD28400975
Product Description
Catalog Number:
AG002MZS
Chemical Name:
Cyclohexanecarboxylic acid, 3-hydroxy-, (1R,3R)-rel-
CAS Number:
23369-01-9
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD28400975
IUPAC Name:
(1S,3S)-3-hydroxycyclohexane-1-carboxylic acid
InChI:
InChI=1S/C7H12O3/c8-6-3-1-2-5(4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6-/m0/s1
InChI Key:
JBZDHFKPEDWWJC-WDSKDSINSA-N
SMILES:
O[C@@H]1CCC[C@H](C1)C(=O)O
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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