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85098-89-1 | (7,8a-dimethyl-3-prop-1-en-2-yl-4,4a,5,8-tetrahydro-3H-naphthalen-1-yl) acetate
CAS No: 85098-89-1 Catalog No: AG004RF0 MDL No:
Product Description
Catalog Number:
AG004RF0
Chemical Name:
(7,8a-dimethyl-3-prop-1-en-2-yl-4,4a,5,8-tetrahydro-3H-naphthalen-1-yl) acetate
CAS Number:
85098-89-1
Molecular Formula:
C17H24O2
Molecular Weight:
260.3713
IUPAC Name:
(7,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-yl) acetate
InChI:
InChI=1S/C17H26O2/c1-11(2)14-8-15-7-6-12(3)10-17(15,5)16(9-14)19-13(4)18/h6,14-16H,1,7-10H2,2-5H3
InChI Key:
GFFZFLWQIFTRRO-UHFFFAOYSA-N
SMILES:
CC(=O)OC1=CC(CC2C1(C)CC(=CC2)C)C(=C)C
EC Number:
285-442-4
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.193g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.393g/mol
Monoisotopic Mass:
262.193g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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