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1459-95-6 | Tricyclo[3.3.1.13,7]decane-1,3-dicarboxylic acid, 1,3-dimethyl ester
CAS No: 1459-95-6 Catalog No: AG001DI6 MDL No:MFCD00167791
Product Description
Catalog Number:
AG001DI6
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1,3-dicarboxylic acid, 1,3-dimethyl ester
CAS Number:
1459-95-6
Molecular Formula:
C14H20O4
Molecular Weight:
252.3062
MDL Number:
MFCD00167791
IUPAC Name:
dimethyl adamantane-1,3-dicarboxylate
InChI:
InChI=1S/C14H20O4/c1-17-11(15)13-4-9-3-10(5-13)7-14(6-9,8-13)12(16)18-2/h9-10H,3-8H2,1-2H3
InChI Key:
YXMDGBXGJKYMQL-UHFFFAOYSA-N
SMILES:
COC(=O)C12CC3CC(C1)CC(C2)(C3)C(=O)OC
NSC Number:
632548
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.31g/mol
Monoisotopic Mass:
252.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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