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Home > Aldehydes > 1383823-47-9
1383823-47-9 | bicyclo[4.1.0]heptane-3-carbaldehyde
CAS No: 1383823-47-9 Catalog No: AG01B7C2 MDL No:MFCD24687781
Product Description
Catalog Number:
AG01B7C2
Chemical Name:
bicyclo[4.1.0]heptane-3-carbaldehyde
CAS Number:
1383823-47-9
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
MDL Number:
MFCD24687781
IUPAC Name:
bicyclo[4.1.0]heptane-3-carbaldehyde
InChI:
InChI=1S/C8H12O/c9-5-6-1-2-7-4-8(7)3-6/h5-8H,1-4H2
InChI Key:
POCVPBVIDMXXGU-UHFFFAOYSA-N
SMILES:
O=CC1CCC2C(C1)C2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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