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14399-63-4 | Cyclohexaneacetic acid, 1-hydroxy-
CAS No: 14399-63-4 Catalog No: AG001IQ3 MDL No:MFCD01028654
Product Description
Catalog Number:
AG001IQ3
Chemical Name:
Cyclohexaneacetic acid, 1-hydroxy-
CAS Number:
14399-63-4
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD01028654
IUPAC Name:
2-(1-hydroxycyclohexyl)acetic acid
InChI:
InChI=1S/C8H14O3/c9-7(10)6-8(11)4-2-1-3-5-8/h11H,1-6H2,(H,9,10)
InChI Key:
AADJJWDBCQRALD-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(O)CCCCC1
NSC Number:
64733
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1.2
Literature
| Title | Journal |
|---|---|
| Studies on 3-deoxy-D-manno-octulosonic acid 8-phosphate synthase using chorismate mutase inhibitors. | Bioorganic & medicinal chemistry letters 20011105 |
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