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114413-47-7 | 2-Propanone, 1-(2-cyclohepten-1-yl)-
CAS No: 114413-47-7 Catalog No: AG000B9Y MDL No:MFCD24695235
Product Description
Catalog Number:
AG000B9Y
Chemical Name:
2-Propanone, 1-(2-cyclohepten-1-yl)-
CAS Number:
114413-47-7
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
MDL Number:
MFCD24695235
IUPAC Name:
1-cyclohept-2-en-1-ylpropan-2-one
InChI:
InChI=1S/C10H16O/c1-9(11)8-10-6-4-2-3-5-7-10/h4,6,10H,2-3,5,7-8H2,1H3
InChI Key:
LBMIWGMCBHBKKD-UHFFFAOYSA-N
SMILES:
CC(=O)CC1CCCCC=C1
Properties
Complexity:
158
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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