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90523-66-3 | Bicyclo[2.2.1]heptane-2-carboxaldehyde, 5-(1-methylethenyl)-
CAS No: 90523-66-3 Catalog No: AG006P0S MDL No:
Product Description
Catalog Number:
AG006P0S
Chemical Name:
Bicyclo[2.2.1]heptane-2-carboxaldehyde, 5-(1-methylethenyl)-
CAS Number:
90523-66-3
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
5-prop-1-en-2-ylbicyclo[2.2.1]heptane-2-carbaldehyde
InChI:
InChI=1S/C11H16O/c1-7(2)11-5-8-3-9(11)4-10(8)6-12/h6,8-11H,1,3-5H2,2H3
InChI Key:
JCECIQPBGNXMMF-UHFFFAOYSA-N
SMILES:
O=CC1CC2CC1CC2C(=C)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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