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80995-97-7 | (6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-one
CAS No: 80995-97-7 Catalog No: AG0056MI MDL No:
Product Description
Catalog Number:
AG0056MI
Chemical Name:
(6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-one
CAS Number:
80995-97-7
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
InChI:
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3/t9-/m1/s1
InChI Key:
SEZLYIWMVRUIKT-SECBINFHSA-N
SMILES:
CC1=CC(=O)[C@H](CC1)C(=C)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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