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1146-56-1 | Bicyclo[2.2.1]heptane-2-butanol, β,3,3-trimethyl-, 2-acetate
CAS No: 1146-56-1 Catalog No: AG000ERZ MDL No:
Product Description
Catalog Number:
AG000ERZ
Chemical Name:
Bicyclo[2.2.1]heptane-2-butanol, β,3,3-trimethyl-, 2-acetate
CAS Number:
1146-56-1
Molecular Formula:
C16H28O2
Molecular Weight:
252.3923
IUPAC Name:
[4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylbutyl] acetate
InChI:
InChI=1S/C16H28O2/c1-11(10-18-12(2)17)5-8-15-13-6-7-14(9-13)16(15,3)4/h11,13-15H,5-10H2,1-4H3
InChI Key:
FZRIZMYSJCHODH-UHFFFAOYSA-N
SMILES:
CC(COC(=O)C)CCC1C2CCC(C1(C)C)C2
EC Number:
214-551-1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.209g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.398g/mol
Monoisotopic Mass:
252.209g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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