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Home > Other Building Blocks > 13058-37-2
13058-37-2 | 4-Hexen-3-one, 1-methoxy-2-methyl-
CAS No: 13058-37-2 Catalog No: AG000UO2 MDL No:
Product Description
Catalog Number:
AG000UO2
Chemical Name:
4-Hexen-3-one, 1-methoxy-2-methyl-
CAS Number:
13058-37-2
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
1-methoxy-2-methylhex-4-en-3-one
InChI:
InChI=1S/C8H14O2/c1-4-5-8(9)7(2)6-10-3/h4-5,7H,6H2,1-3H3
InChI Key:
WDUJWJKKSGKLMJ-UHFFFAOYSA-N
SMILES:
COCC(C(=O)C=CC)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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