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30452-01-8 | 1-Cyclohepten-1-ol, 2,6,6-trimethyl-, 1-acetate
CAS No: 30452-01-8 Catalog No: AG003069 MDL No:
Product Description
Catalog Number:
AG003069
Chemical Name:
1-Cyclohepten-1-ol, 2,6,6-trimethyl-, 1-acetate
CAS Number:
30452-01-8
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
(2,6,6-trimethylcyclohepten-1-yl) acetate
InChI:
InChI=1S/C12H20O2/c1-9-6-5-7-12(3,4)8-11(9)14-10(2)13/h5-8H2,1-4H3
InChI Key:
DOISGBZGBFUZQG-UHFFFAOYSA-N
SMILES:
CC(=O)OC1=C(C)CCCC(C1)(C)C
NSC Number:
126337
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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