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24779-68-8 | Propanedioic acid, 2-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No: 24779-68-8 Catalog No: AG002PEF MDL No:MFCD00188498
Product Description
Catalog Number:
AG002PEF
Chemical Name:
Propanedioic acid, 2-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
24779-68-8
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
MDL Number:
MFCD00188498
IUPAC Name:
2-(1-adamantyl)propanedioic acid
InChI:
InChI=1S/C13H18O4/c14-11(15)10(12(16)17)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-10H,1-6H2,(H,14,15)(H,16,17)
InChI Key:
PJDWEIFODWCDAV-UHFFFAOYSA-N
SMILES:
OC(=O)C(C12CC3CC(C2)CC(C1)C3)C(=O)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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