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7492-37-7 | 3-BENZYL-4-HEPTANONE
CAS No: 7492-37-7 Catalog No: AG0057ZZ MDL No:
Product Description
Catalog Number:
AG0057ZZ
Chemical Name:
3-BENZYL-4-HEPTANONE
CAS Number:
7492-37-7
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
IUPAC Name:
3-benzylheptan-4-one
InChI:
InChI=1S/C14H20O/c1-3-8-14(15)13(4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3
InChI Key:
CGTCWTIGDNJZOX-UHFFFAOYSA-N
SMILES:
CCC(C(=O)CCC)Cc1ccccc1
EC Number:
231-317-4
FEMA Number:
2146
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.151g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.313g/mol
Monoisotopic Mass:
204.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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