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919301-88-5

919301-88-5 | 1,3-Cyclohexadiene-1-carboxaldehyde, 6-methyl-4,6-diphenyl-, (6S)-

CAS No: 919301-88-5 Catalog No: AG006JLR MDL No:

Product Description

Catalog Number:
AG006JLR
Chemical Name:
1,3-Cyclohexadiene-1-carboxaldehyde, 6-methyl-4,6-diphenyl-, (6S)-
CAS Number:
919301-88-5
Molecular Formula:
C20H18O
Molecular Weight:
274.3563
IUPAC Name:
(6S)-6-methyl-4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde
InChI:
InChI=1S/C20H18O/c1-20(18-10-6-3-7-11-18)14-17(12-13-19(20)15-21)16-8-4-2-5-9-16/h2-13,15H,14H2,1H3/t20-/m0/s1
InChI Key:
ZIAQVESNDUGFOA-FQEVSTJZSA-N
SMILES:
O=CC1=CC=C(C[C@@]1(C)c1ccccc1)c1ccccc1

Properties

Complexity:
433  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
274.136g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.363g/mol
Monoisotopic Mass:
274.136g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

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