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15037-75-9 | Tricyclo[3.3.1.13,7]decane-1-butanoic acid, γ-oxo-
CAS No: 15037-75-9 Catalog No: AG001MKD MDL No:
Product Description
Catalog Number:
AG001MKD
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1-butanoic acid, γ-oxo-
CAS Number:
15037-75-9
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
4-(1-adamantyl)-4-oxobutanoic acid
InChI:
InChI=1S/C14H20O3/c15-12(1-2-13(16)17)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,1-8H2,(H,16,17)
InChI Key:
JOMLUJFKSUOYTA-UHFFFAOYSA-N
SMILES:
O=C(C12CC3CC(C2)CC(C1)C3)CCC(=O)O
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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