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Home > Aldehydes > 117633-03-1
117633-03-1 | bicyclo[1.1.1]pentane-1-carbaldehyde
CAS No: 117633-03-1 Catalog No: AG01BS2L MDL No:MFCD24393552
Product Description
Catalog Number:
AG01BS2L
Chemical Name:
bicyclo[1.1.1]pentane-1-carbaldehyde
CAS Number:
117633-03-1
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
MDL Number:
MFCD24393552
IUPAC Name:
bicyclo[1.1.1]pentane-1-carbaldehyde
InChI:
InChI=1S/C6H8O/c7-4-6-1-5(2-6)3-6/h4-5H,1-3H2
InChI Key:
NDLHUBKHNOZDHT-UHFFFAOYSA-N
SMILES:
O=CC12CC(C1)C2
Properties
Complexity:
100
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:
0.4
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