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13122-52-6 | 2-Pentanone, 4-methoxy-
CAS No: 13122-52-6 Catalog No: AG000VR5 MDL No:
Product Description
Catalog Number:
AG000VR5
Chemical Name:
2-Pentanone, 4-methoxy-
CAS Number:
13122-52-6
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
IUPAC Name:
4-methoxypentan-2-one
InChI:
InChI=1S/C6H12O2/c1-5(7)4-6(2)8-3/h6H,4H2,1-3H3
InChI Key:
BNEZGZQZWFYHTI-UHFFFAOYSA-N
SMILES:
COC(CC(=O)C)C
Properties
Complexity:
78.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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