Home Other Building Blocks (2H-1,3-benzodioxol-5-yl)(cyclopentyl)methanol

(2H-1,3-benzodioxol-5-yl)(cyclopentyl)methanol

CAS No.:
1216230-18-0
Catalog Number:
AG01DQT6
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
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Product Description
Catalog Number:
AG01DQT6
Chemical Name:
(2H-1,3-benzodioxol-5-yl)(cyclopentyl)methanol
CAS Number:
1216230-18-0
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD14530316
IUPAC Name:
1,3-benzodioxol-5-yl(cyclopentyl)methanol
InChI:
InChI=1S/C13H16O3/c14-13(9-3-1-2-4-9)10-5-6-11-12(7-10)16-8-15-11/h5-7,9,13-14H,1-4,8H2
InChI Key:
HUEXNQXGJDCZDN-UHFFFAOYSA-N
SMILES:
OC(c1ccc2c(c1)OCO2)C1CCCC1
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties