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877-99-6

877-99-6 | Benzene, 1-methoxy-4-(2-methyl-1-propenyl)-

CAS No: 877-99-6 Catalog No: AG004F88 MDL No:

Product Description

Catalog Number:
AG004F88
Chemical Name:
Benzene, 1-methoxy-4-(2-methyl-1-propenyl)-
CAS Number:
877-99-6
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
IUPAC Name:
1-methoxy-4-(2-methylprop-1-enyl)benzene
InChI:
InChI=1S/C11H14O/c1-9(2)8-10-4-6-11(12-3)7-5-10/h4-8H,1-3H3
InChI Key:
QABCSPDGWHIRHC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=C(C)C

Properties

Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Literature

Title Journal
Composition of the essential oil of the liverwort Radula perrottetii of Japanese origin. Phytochemistry 20050401
Stereochemistry in the reaction of 4-methyl-1,2,4-triazoline-3,5-dione (MTAD) with beta,beta dimethyl-p-methoxystyrene. Are open biradicals the reaction intermediates? The Journal of organic chemistry 20010601

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