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69647-58-1 | 1-propylcyclobutane-1-carbaldehyde
CAS No: 69647-58-1 Catalog No: AG01BRL5 MDL No:MFCD24674548
Product Description
Catalog Number:
AG01BRL5
Chemical Name:
1-propylcyclobutane-1-carbaldehyde
CAS Number:
69647-58-1
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD24674548
IUPAC Name:
1-propylcyclobutane-1-carbaldehyde
InChI:
InChI=1S/C8H14O/c1-2-4-8(7-9)5-3-6-8/h7H,2-6H2,1H3
InChI Key:
VSMYLLVVCZDGCT-UHFFFAOYSA-N
SMILES:
CCCC1(CCC1)C=O
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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