Home Other Building Blocks 2,2-dimethyl-3-phenoxypropan-1-ol

2,2-dimethyl-3-phenoxypropan-1-ol

CAS No.:
1991-46-4
Catalog Number:
AG01B9AH
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
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Product Description
Catalog Number:
AG01B9AH
Chemical Name:
2,2-dimethyl-3-phenoxypropan-1-ol
CAS Number:
1991-46-4
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
MDL Number:
MFCD16302064
IUPAC Name:
2,2-dimethyl-3-phenoxypropan-1-ol
InChI:
InChI=1S/C11H16O2/c1-11(2,8-12)9-13-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChI Key:
IPJWLTAUNUZLOE-UHFFFAOYSA-N
SMILES:
OCC(COc1ccccc1)(C)C
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties