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85567-27-7 | 2-Buten-1-ol,4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-ethyl-, 1-acetate
CAS No: 85567-27-7 Catalog No: AG004UGS MDL No:
Product Description
Catalog Number:
AG004UGS
Chemical Name:
2-Buten-1-ol,4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-ethyl-, 1-acetate
CAS Number:
85567-27-7
Molecular Formula:
C17H28O2
Molecular Weight:
264.4030
IUPAC Name:
[(E)-4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-ethylbut-2-enyl] acetate
InChI:
InChI=1S/C17H28O2/c1-5-13(11-19-12(2)18)6-9-16-14-7-8-15(10-14)17(16,3)4/h6,14-16H,5,7-11H2,1-4H3/b13-6+
InChI Key:
KPCGWZMBVFNLCQ-AWNIVKPZSA-N
SMILES:
CCC(=CCC1C2CCC(C1(C)C)C2)COC(=O)C
EC Number:
287-741-5
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
264.209g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.409g/mol
Monoisotopic Mass:
264.209g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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