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16887-29-9 | 2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl- (9CI)
CAS No: 16887-29-9 Catalog No: AG001YCF MDL No:
Product Description
Catalog Number:
AG001YCF
Chemical Name:
2(1H)-Naphthalenone, 1-(acetyloxy)octahydro-4a,8a-dimethyl- (9CI)
CAS Number:
16887-29-9
Molecular Formula:
C14H22O3
Molecular Weight:
238.3227
IUPAC Name:
(4a,8a-dimethyl-2-oxo-3,4,5,6,7,8-hexahydro-1H-naphthalen-1-yl) acetate
InChI:
InChI=1S/C14H22O3/c1-10(15)17-12-11(16)6-9-13(2)7-4-5-8-14(12,13)3/h12H,4-9H2,1-3H3
InChI Key:
FYMNQVWASHJANL-UHFFFAOYSA-N
SMILES:
CC(=O)OC1C(=O)CCC2(C1(C)CCCC2)C
NSC Number:
127540
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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