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27621-18-7 | Cyclopropanetridecanoic acid
CAS No: 27621-18-7 Catalog No: AG002UA1 MDL No:
Product Description
Catalog Number:
AG002UA1
Chemical Name:
Cyclopropanetridecanoic acid
CAS Number:
27621-18-7
Molecular Formula:
C16H30O2
Molecular Weight:
254.4082
IUPAC Name:
13-cyclopropyltridecanoic acid
InChI:
InChI=1S/C16H30O2/c17-16(18)12-10-8-6-4-2-1-3-5-7-9-11-15-13-14-15/h15H,1-14H2,(H,17,18)
InChI Key:
MBYWOZMCZQJEJH-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCCCC1CC1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.225g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.414g/mol
Monoisotopic Mass:
254.225g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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