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85233-44-9 | Heptanoic acid, 3-hydroxy-, (R)-
CAS No: 85233-44-9 Catalog No: AG004M3E MDL No:
Product Description
Catalog Number:
AG004M3E
Chemical Name:
Heptanoic acid, 3-hydroxy-, (R)-
CAS Number:
85233-44-9
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
IUPAC Name:
(3R)-3-hydroxyheptanoic acid
InChI:
InChI=1S/C7H14O3/c1-2-3-4-6(8)5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)/t6-/m1/s1
InChI Key:
OXSSIXNFGTZQMZ-ZCFIWIBFSA-N
SMILES:
CCCC[C@H](CC(=O)O)O
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
146.094g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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