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116164-72-8

116164-72-8 | Benzene, 1-methyl-3-(pentenyl)- (9CI)

CAS No: 116164-72-8 Catalog No: AG000BS5 MDL No:

Product Description

Catalog Number:
AG000BS5
Chemical Name:
Benzene, 1-methyl-3-(pentenyl)- (9CI)
CAS Number:
116164-72-8
Molecular Formula:
C12H16
Molecular Weight:
160.2554
IUPAC Name:
1-methyl-3-pent-1-enylbenzene
InChI:
InChI=1S/C12H16/c1-3-4-5-8-12-9-6-7-11(2)10-12/h5-10H,3-4H2,1-2H3
InChI Key:
MVPMEAVUUSNGFH-UHFFFAOYSA-N
SMILES:
CCCC=Cc1cccc(c1)C

Properties

Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.125g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.26g/mol
Monoisotopic Mass:
160.125g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.3  

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