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88802-65-7 | Cycloheptanone, 3,3-dimethyl-2-methylene-
CAS No: 88802-65-7 Catalog No: AG004CKC MDL No:
Product Description
Catalog Number:
AG004CKC
Chemical Name:
Cycloheptanone, 3,3-dimethyl-2-methylene-
CAS Number:
88802-65-7
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
3,3-dimethyl-2-methylidenecycloheptan-1-one
InChI:
InChI=1S/C10H16O/c1-8-9(11)6-4-5-7-10(8,2)3/h1,4-7H2,2-3H3
InChI Key:
IZLGVVKSTDRXKX-UHFFFAOYSA-N
SMILES:
O=C1CCCCC(C1=C)(C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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