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1321-18-2 | 2-Oxepanone, methyl-
CAS No: 1321-18-2 Catalog No: AG00107P MDL No:
Product Description
Catalog Number:
AG00107P
Chemical Name:
2-Oxepanone, methyl-
CAS Number:
1321-18-2
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
3-methyloxepan-2-one
InChI:
InChI=1S/C7H12O2/c1-6-4-2-3-5-9-7(6)8/h6H,2-5H2,1H3
InChI Key:
IYBOGQYZTIIPNI-UHFFFAOYSA-N
SMILES:
O=C1OCCCCC1C
EC Number:
607-737-2
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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