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20145-35-1 | 3-Cyclopentene-1-carboxaldehyde
CAS No: 20145-35-1 Catalog No: AG002DFH MDL No:
Product Description
Catalog Number:
AG002DFH
Chemical Name:
3-Cyclopentene-1-carboxaldehyde
CAS Number:
20145-35-1
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
IUPAC Name:
cyclopent-3-ene-1-carbaldehyde
InChI:
InChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h1-2,5-6H,3-4H2
InChI Key:
RMCWOSMNBMMDPL-UHFFFAOYSA-N
SMILES:
O=CC1CC=CC1
Properties
Complexity:
86.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.058g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.129g/mol
Monoisotopic Mass:
96.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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