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88418-18-2

88418-18-2 | 2,4-Cyclopentadien-1-one, 2-pentyl-

CAS No: 88418-18-2 Catalog No: AG004KN1 MDL No:

Product Description

Catalog Number:
AG004KN1
Chemical Name:
2,4-Cyclopentadien-1-one, 2-pentyl-
CAS Number:
88418-18-2
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
2-pentylcyclopenta-2,4-dien-1-one
InChI:
InChI=1S/C10H14O/c1-2-3-4-6-9-7-5-8-10(9)11/h5,7-8H,2-4,6H2,1H3
InChI Key:
DXTHSTADJMSHSE-UHFFFAOYSA-N
SMILES:
CCCCCC1=CC=CC1=O

Properties

Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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