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100696-95-5

100696-95-5 | Benzene, (3-methoxy-3-methyl-5-hexen-1-yl)-

CAS No: 100696-95-5 Catalog No: AG0002NA MDL No:

Product Description

Catalog Number:
AG0002NA
Chemical Name:
Benzene, (3-methoxy-3-methyl-5-hexen-1-yl)-
CAS Number:
100696-95-5
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
IUPAC Name:
(3-methoxy-3-methylhex-5-enyl)benzene
InChI:
InChI=1S/C14H20O/c1-4-11-14(2,15-3)12-10-13-8-6-5-7-9-13/h4-9H,1,10-12H2,2-3H3
InChI Key:
ITPRFHHDDLPZLJ-UHFFFAOYSA-N
SMILES:
C=CCC(CCc1ccccc1)(OC)C

Properties

Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.151g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.313g/mol
Monoisotopic Mass:
204.151g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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