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Home > Aldehydes > 105955-59-7
105955-59-7 | 1,4-Cyclopentadiene-1-carboxaldehyde
CAS No: 105955-59-7 Catalog No: AG0084TB MDL No:
Product Description
Catalog Number:
AG0084TB
Chemical Name:
1,4-Cyclopentadiene-1-carboxaldehyde
CAS Number:
105955-59-7
Molecular Formula:
C6H6O
Molecular Weight:
94.1112
InChI:
InChI=1S/C6H6O/c7-5-6-3-1-2-4-6/h1,3-5H,2H2
InChI Key:
DQMJLCSIZHIBGF-UHFFFAOYSA-N
SMILES:
O=CC1=CCC=C1
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.042g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.113g/mol
Monoisotopic Mass:
94.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| (3-Chloro-phen-yl){2-eth-oxy-5-[(Z)-hydroxy(phen-yl)methyl-idene]cyclo-penta-1,3-dien-1-yl}methanone. | Acta crystallographica. Section E, Structure reports online 20120201 |
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