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15898-87-0 | Cyclopropanecarboxylic acid, 2-octyl-
CAS No: 15898-87-0 Catalog No: AG001R2L MDL No:MFCD00543867
Product Description
Catalog Number:
AG001R2L
Chemical Name:
Cyclopropanecarboxylic acid, 2-octyl-
CAS Number:
15898-87-0
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
MDL Number:
MFCD00543867
IUPAC Name:
2-octylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-10-9-11(10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
InChI Key:
FLZRNGWKTVAXBN-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1CC1C(=O)O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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