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Home > Other Heterocycles > 1427381-02-9
1427381-02-9 | 3-methoxy-2-methylspiro[3.3]heptan-1-one
CAS No: 1427381-02-9 Catalog No: AG01A44J MDL No:MFCD23144230
Product Description
Catalog Number:
AG01A44J
Chemical Name:
3-methoxy-2-methylspiro[3.3]heptan-1-one
CAS Number:
1427381-02-9
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
MDL Number:
MFCD23144230
IUPAC Name:
1-methoxy-2-methylspiro[3.3]heptan-3-one
InChI:
InChI=1S/C9H14O2/c1-6-7(10)9(4-3-5-9)8(6)11-2/h6,8H,3-5H2,1-2H3
InChI Key:
PJUMGKXWUAKDEI-UHFFFAOYSA-N
SMILES:
COC1C(C)C(=O)C21CCC2
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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