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13928-68-2 | Tricyclo[3.3.1.13,7]decane-1,3-dicarboxylic acid, 5,7-dimethyl-
CAS No: 13928-68-2 Catalog No: AG001ANT MDL No:MFCD01825788
Product Description
Catalog Number:
AG001ANT
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1,3-dicarboxylic acid, 5,7-dimethyl-
CAS Number:
13928-68-2
Molecular Formula:
C14H20O4
Molecular Weight:
252.3062
MDL Number:
MFCD01825788
IUPAC Name:
5,7-dimethyladamantane-1,3-dicarboxylic acid
InChI:
InChI=1S/C14H20O4/c1-11-3-12(2)6-13(4-11,9(15)16)8-14(5-11,7-12)10(17)18/h3-8H2,1-2H3,(H,15,16)(H,17,18)
InChI Key:
KGFHKUZOSKDAKW-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC3(C)CC(C1)(C)CC(C2)(C3)C(=O)O
Properties
Complexity:
399
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:
2
Isotope Atom Count:
0
Molecular Weight:
252.31g/mol
Monoisotopic Mass:
252.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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