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3045-99-6 | Cycloheptanone, 2-methylene-
CAS No: 3045-99-6 Catalog No: AG00306D MDL No:
Product Description
Catalog Number:
AG00306D
Chemical Name:
Cycloheptanone, 2-methylene-
CAS Number:
3045-99-6
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
2-methylidenecycloheptan-1-one
InChI:
InChI=1S/C8H12O/c1-7-5-3-2-4-6-8(7)9/h1-6H2
InChI Key:
QUXBXCLXGZYNFP-UHFFFAOYSA-N
SMILES:
C=C1CCCCCC1=O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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