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29765-85-3 | 2-Cyclopenten-1-one, 2,3,5-trimethyl-4-methylene-
CAS No: 29765-85-3 Catalog No: AG002ZBC MDL No:
Product Description
Catalog Number:
AG002ZBC
Chemical Name:
2-Cyclopenten-1-one, 2,3,5-trimethyl-4-methylene-
CAS Number:
29765-85-3
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
2,3,5-trimethyl-4-methylidenecyclopent-2-en-1-one
InChI:
InChI=1S/C9H12O/c1-5-6(2)8(4)9(10)7(5)3/h7H,1H2,2-4H3
InChI Key:
NUPOFQCBTWUAJT-UHFFFAOYSA-N
SMILES:
C=C1C(C)C(=O)C(=C1C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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