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Home Other Building Blocks (1-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanol

(1-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanol

CAS No.:
25634-94-0
Catalog Number:
AG01EMML
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
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Product Description
Catalog Number:
AG01EMML
Chemical Name:
(1-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CAS Number:
25634-94-0
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD21671902
IUPAC Name:
(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
InChI:
InChI=1S/C12H16O/c1-12(9-13)8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,13H,4,6,8-9H2,1H3
InChI Key:
BVOXKRPQUJYDDZ-UHFFFAOYSA-N
SMILES:
OCC1(C)CCCc2c1cccc2
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Synthesis and biological activity of both enantiomers of kujigamberol isolated from 85-million-years-old Kuji amber. Bioorganic & medicinal chemistry letters 20120701
Properties