Home Aldehydes oxepane-4-carbaldehyde

oxepane-4-carbaldehyde

CAS No.:
1369165-85-4
Catalog Number:
AG01C55H
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
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Product Description
Catalog Number:
AG01C55H
Chemical Name:
oxepane-4-carbaldehyde
CAS Number:
1369165-85-4
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD21078996
IUPAC Name:
oxepane-4-carbaldehyde
InChI:
InChI=1S/C7H12O2/c8-6-7-2-1-4-9-5-3-7/h6-7H,1-5H2
InChI Key:
BBVZOEQHRCNLQJ-UHFFFAOYSA-N
SMILES:
O=CC1CCOCCC1
Properties
Complexity:
90.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties