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58096-21-2 | (1R,2R,3R,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carbaldehyde
CAS No: 58096-21-2 Catalog No: AG01DEHU MDL No:MFCD31567218
Product Description
Catalog Number:
AG01DEHU
Chemical Name:
(1R,2R,3R,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carbaldehyde
CAS Number:
58096-21-2
MDL Number:
MFCD31567218
IUPAC Name:
(1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carbaldehyde
InChI:
InChI=1S/C11H18O/c1-7-8(6-12)4-9-5-10(7)11(9,2)3/h6-10H,4-5H2,1-3H3/t7-,8-,9+,10+/m0/s1
InChI Key:
VUNCLQCPKWLBRY-AXTSPUMRSA-N
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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