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17378-99-3

17378-99-3 | 1,2-Benzenediethanol

CAS No: 17378-99-3 Catalog No: AG001Z6C MDL No:

Product Description

Catalog Number:
AG001Z6C
Chemical Name:
1,2-Benzenediethanol
CAS Number:
17378-99-3
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
2-[2-(2-hydroxyethyl)phenyl]ethanol
InChI:
InChI=1S/C10H14O2/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-4,11-12H,5-8H2
InChI Key:
IHAYMIVQKCTBBS-UHFFFAOYSA-N
SMILES:
OCCc1ccccc1CCO
NSC Number:
73043

Properties

Complexity:
100  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Literature

Title Journal
Synthesis and photochemistry of isothiocoumarins fused to an additional pyranone or thiopyranone ring. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20031101

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