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113474-25-2 | 1,3-Cyclohexanedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester
CAS No: 113474-25-2 Catalog No: AG0008OO MDL No:MFCD22741888
Product Description
Catalog Number:
AG0008OO
Chemical Name:
1,3-Cyclohexanedicarboxylic acid, 5-hydroxy-, 1,3-dimethyl ester
CAS Number:
113474-25-2
Molecular Formula:
C10H16O5
Molecular Weight:
216.2310
MDL Number:
MFCD22741888
IUPAC Name:
dimethyl 5-hydroxycyclohexane-1,3-dicarboxylate
InChI:
InChI=1S/C10H16O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h6-8,11H,3-5H2,1-2H3
InChI Key:
WINOVBXKECSWMZ-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(O)CC(C1)C(=O)OC
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.233g/mol
Monoisotopic Mass:
216.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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