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64940-63-2 | spiro[2.2]pentane-1-carbaldehyde
CAS No: 64940-63-2 Catalog No: AG01BV42 MDL No:MFCD24674226
Product Description
Catalog Number:
AG01BV42
Chemical Name:
spiro[2.2]pentane-1-carbaldehyde
CAS Number:
64940-63-2
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
MDL Number:
MFCD24674226
IUPAC Name:
spiro[2.2]pentane-2-carbaldehyde
InChI:
InChI=1S/C6H8O/c7-4-5-3-6(5)1-2-6/h4-5H,1-3H2
InChI Key:
JQAPIXOLWPNUMS-UHFFFAOYSA-N
SMILES:
O=CC1CC21CC2
Properties
Complexity:
113
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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