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27539-94-2 | 3,7-Nonadien-2-one, 4,8-dimethyl-, (3E)-
CAS No: 27539-94-2 Catalog No: AG002U0X MDL No:
Product Description
Catalog Number:
AG002U0X
Chemical Name:
3,7-Nonadien-2-one, 4,8-dimethyl-, (3E)-
CAS Number:
27539-94-2
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
(3E)-4,8-dimethylnona-3,7-dien-2-one
InChI:
InChI=1S/C11H18O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8H,5,7H2,1-4H3/b10-8+
InChI Key:
QAFYGHBGWCPRCI-CSKARUKUSA-N
SMILES:
CC(=CCC/C(=C/C(=O)C)/C)C
EC Number:
617-260-1
UNII:
UCA9GL2877
FEMA Number:
3969
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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