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14525-96-3 | 3-Cyclohepten-1-one, 3-methyl-
CAS No: 14525-96-3 Catalog No: AG001KPU MDL No:
Product Description
Catalog Number:
AG001KPU
Chemical Name:
3-Cyclohepten-1-one, 3-methyl-
CAS Number:
14525-96-3
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
3-methylcyclohept-3-en-1-one
InChI:
InChI=1S/C8H12O/c1-7-4-2-3-5-8(9)6-7/h4H,2-3,5-6H2,1H3
InChI Key:
MQEAASYWNDKGRI-UHFFFAOYSA-N
SMILES:
O=C1CCCC=C(C1)C
Properties
Complexity:
145
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:
1
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