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126971-21-9 | 4H-Indene, 5,6,7,7a-tetrahydro-7a-methyl-1-phenyl-, (7aS)-
CAS No: 126971-21-9 Catalog No: AG000WHU MDL No:
Product Description
Catalog Number:
AG000WHU
Chemical Name:
4H-Indene, 5,6,7,7a-tetrahydro-7a-methyl-1-phenyl-, (7aS)-
CAS Number:
126971-21-9
Molecular Formula:
C16H18
Molecular Weight:
210.3141
IUPAC Name:
7a-methyl-1-phenyl-4,5,6,7-tetrahydroindene
InChI:
InChI=1S/C16H18/c1-16-12-6-5-9-14(16)10-11-15(16)13-7-3-2-4-8-13/h2-4,7-8,10-11H,5-6,9,12H2,1H3
InChI Key:
GUIDVCDOJAADFG-UHFFFAOYSA-N
SMILES:
C[C@]12CCCCC1=CC=C2c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.32g/mol
Monoisotopic Mass:
210.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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