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90321-80-5 | 1,3-Cyclopentadiene-1,3-dicarboxaldehyde, 5-(hydroxymethylene)-
CAS No: 90321-80-5 Catalog No: AG006FOF MDL No:
Product Description
Catalog Number:
AG006FOF
Chemical Name:
1,3-Cyclopentadiene-1,3-dicarboxaldehyde, 5-(hydroxymethylene)-
CAS Number:
90321-80-5
Molecular Formula:
C8H6O3
Molecular Weight:
150.1314
IUPAC Name:
4-(hydroxymethylidene)cyclopenta-2,5-diene-1,2-dicarbaldehyde
InChI:
InChI=1S/C8H6O3/c9-3-6-1-7(4-10)8(2-6)5-11/h1-5,9H
InChI Key:
IEJALHSKWNRHPS-UHFFFAOYSA-N
SMILES:
O=CC1=CC(=CO)C(=C1)C=O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.133g/mol
Monoisotopic Mass:
150.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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