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18951-93-4 | 2-OXEPANONE, 4-METHYL-, (4R)-
CAS No: 18951-93-4 Catalog No: AG002DQC MDL No:
Product Description
Catalog Number:
AG002DQC
Chemical Name:
2-OXEPANONE, 4-METHYL-, (4R)-
CAS Number:
18951-93-4
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
(4R)-4-methyloxepan-2-one
InChI:
InChI=1S/C7H12O2/c1-6-3-2-4-9-7(8)5-6/h6H,2-5H2,1H3/t6-/m1/s1
InChI Key:
CHXLFXLPKLZALY-ZCFIWIBFSA-N
SMILES:
C[C@@H]1CCCOC(=O)C1
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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