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115372-35-5 | Benzene, 1-(1-methylethyl)-3-(phenylmethyl)-
CAS No: 115372-35-5 Catalog No: AG000GMT MDL No:
Product Description
Catalog Number:
AG000GMT
Chemical Name:
Benzene, 1-(1-methylethyl)-3-(phenylmethyl)-
CAS Number:
115372-35-5
Molecular Formula:
C16H18
Molecular Weight:
210.3141
IUPAC Name:
1-benzyl-3-propan-2-ylbenzene
InChI:
InChI=1S/C16H18/c1-13(2)16-10-6-9-15(12-16)11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3
InChI Key:
MSOOLYJBQGXIJT-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1)Cc1ccccc1)C
Properties
Complexity:
188
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:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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