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16215-59-1 | Cyclododecaneacetic acid, 2-oxo-
CAS No: 16215-59-1 Catalog No: AG001ST7 MDL No:
Product Description
Catalog Number:
AG001ST7
Chemical Name:
Cyclododecaneacetic acid, 2-oxo-
CAS Number:
16215-59-1
Molecular Formula:
C14H24O3
Molecular Weight:
240.3386
IUPAC Name:
2-(2-oxocyclododecyl)acetic acid
InChI:
InChI=1S/C14H24O3/c15-13-10-8-6-4-2-1-3-5-7-9-12(13)11-14(16)17/h12H,1-11H2,(H,16,17)
InChI Key:
NTJNUZBUTFPMAK-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCCCCCCCCC1=O
NSC Number:
249778
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.173g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.343g/mol
Monoisotopic Mass:
240.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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