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73057-50-8 | 2,4-Cyclopentadiene-1-carboxaldehyde, 1,2,3,4,5-pentamethyl-
CAS No: 73057-50-8 Catalog No: AG005Y9J MDL No:
Product Description
Catalog Number:
AG005Y9J
Chemical Name:
2,4-Cyclopentadiene-1-carboxaldehyde, 1,2,3,4,5-pentamethyl-
CAS Number:
73057-50-8
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
1,2,3,4,5-pentamethylcyclopenta-2,4-diene-1-carbaldehyde
InChI:
InChI=1S/C11H16O/c1-7-8(2)10(4)11(5,6-12)9(7)3/h6H,1-5H3
InChI Key:
CXRYQGVKQQCWOV-UHFFFAOYSA-N
SMILES:
O=CC1(C)C(=C(C(=C1C)C)C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/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
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