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99-62-7 | 1,3-Diisopropylbenzene
CAS No: 99-62-7 Catalog No: AG003B08 MDL No:MFCD00008889
Product Description
Catalog Number:
AG003B08
Chemical Name:
1,3-Diisopropylbenzene
CAS Number:
99-62-7
Molecular Formula:
C12H18
Molecular Weight:
162.2713
MDL Number:
MFCD00008889
IUPAC Name:
1,3-di(propan-2-yl)benzene
InChI:
InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3
InChI Key:
UNEATYXSUBPPKP-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1)C(C)C)C
EC Number:
202-773-1
UNII:
482VXW192E
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.141g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.276g/mol
Monoisotopic Mass:
162.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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