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116244-55-4 | 4-Penten-1-one, 1-(cyclopentadienyl)- (9CI)
CAS No: 116244-55-4 Catalog No: AG000C1N MDL No:
Product Description
Catalog Number:
AG000C1N
Chemical Name:
4-Penten-1-one, 1-(cyclopentadienyl)- (9CI)
CAS Number:
116244-55-4
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
IUPAC Name:
1-cyclopenta-1,3-dien-1-ylpent-4-en-1-one
InChI:
InChI=1S/C10H12O/c1-2-3-8-10(11)9-6-4-5-7-9/h2,4-6H,1,3,7-8H2
InChI Key:
MSSIBGXRTHECQG-UHFFFAOYSA-N
SMILES:
C=CCCC(=O)C1C=CC=C1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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