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Home Other Building Blocks 2-(1,4-dihydroxycyclohexyl)acetic acid

2-(1,4-dihydroxycyclohexyl)acetic acid

CAS No.:
68592-24-5
Catalog Number:
AG01BEEN
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
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Product Description
Catalog Number:
AG01BEEN
Chemical Name:
2-(1,4-dihydroxycyclohexyl)acetic acid
CAS Number:
68592-24-5
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
MDL Number:
MFCD24525348
IUPAC Name:
2-(1,4-dihydroxycyclohexyl)acetic acid
InChI:
InChI=1S/C8H14O4/c9-6-1-3-8(12,4-2-6)5-7(10)11/h6,9,12H,1-5H2,(H,10,11)
InChI Key:
LHDVONJKFJRQTI-UHFFFAOYSA-N
SMILES:
OC1CCC(CC1)(O)CC(=O)O
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
[Studies on constituents in herb of Senecio scandens]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20061101
A new compound from Forsythia suspensa (Thunb.) Vahl with antiviral effect on RSV. Journal of herbal pharmacotherapy 20020101
Properties