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13109-70-1 | Butanoic acid, (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
CAS No: 13109-70-1 Catalog No: AG000VJ0 MDL No:
Product Description
Catalog Number:
AG000VJ0
Chemical Name:
Butanoic acid, (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
CAS Number:
13109-70-1
Molecular Formula:
C14H24O2
Molecular Weight:
224.3392
IUPAC Name:
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) butanoate
InChI:
InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3
InChI Key:
VIPNQHBVIDJXJE-UHFFFAOYSA-N
SMILES:
CCCC(=O)O[C@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C
EC Number:
236-036-0
FEMA Number:
3907
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.344g/mol
Monoisotopic Mass:
224.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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