Home Other Building Blocks 1-(1,3-dioxaindan-5-yl)butan-2-ol

1-(1,3-dioxaindan-5-yl)butan-2-ol

CAS No.:
113283-34-4
Catalog Number:
AG01EMKX
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
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Product Description
Catalog Number:
AG01EMKX
Chemical Name:
1-(1,3-dioxaindan-5-yl)butan-2-ol
CAS Number:
113283-34-4
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD19301908
IUPAC Name:
1-(1,3-benzodioxol-5-yl)butan-2-ol
InChI:
InChI=1S/C11H14O3/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h3-4,6,9,12H,2,5,7H2,1H3
InChI Key:
IOPGAULGWGHDFQ-UHFFFAOYSA-N
SMILES:
CCC(Cc1ccc2c(c1)OCO2)O
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties