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124574-77-2 | 3,7-Nonadien-2-one, 5,5,8-trimethyl-, (3E)-
CAS No: 124574-77-2 Catalog No: AG000ME2 MDL No:
Product Description
Catalog Number:
AG000ME2
Chemical Name:
3,7-Nonadien-2-one, 5,5,8-trimethyl-, (3E)-
CAS Number:
124574-77-2
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
5,5,8-trimethylnona-3,7-dien-2-one
InChI:
InChI=1S/C12H20O/c1-10(2)6-8-12(4,5)9-7-11(3)13/h6-7,9H,8H2,1-5H3
InChI Key:
DGGSFVWCYRBAHV-UHFFFAOYSA-N
SMILES:
CC(=CCC(/C=C/C(=O)C)(C)C)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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