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29350-86-5 | Benzene, methyl[(methylphenyl)ethyl]- (9CI)
CAS No: 29350-86-5 Catalog No: AG002Y51 MDL No:
Product Description
Catalog Number:
AG002Y51
Chemical Name:
Benzene, methyl[(methylphenyl)ethyl]- (9CI)
CAS Number:
29350-86-5
Molecular Formula:
C16H18
Molecular Weight:
210.3141
IUPAC Name:
1-methyl-2-[2-(2-methylphenyl)ethyl]benzene
InChI:
InChI=1S/C16H18/c1-13-7-3-5-9-15(13)11-12-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3
InChI Key:
QFEPNMCDSBNJDB-UHFFFAOYSA-N
SMILES:
Cc1ccccc1CCc1ccccc1C
NSC Number:
127020
Properties
Complexity:
174
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:
4.9
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