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1003-66-3,MFCD01073902
Catalog No.:AA0001FH
1003-66-3 | Phenol-d
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$947.00   $663.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0001FH
Chemical Name:
Phenol-d
CAS Number:
1003-66-3
Molecular Formula:
C6H5DO
Molecular Weight:
95.1174
MDL Number:
MFCD01073902
IUPAC Name:
deuteriooxybenzene
InChI:
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i/hD
InChI Key:
ISWSIDIOOBJBQZ-DYCDLGHISA-N
SMILES:
c1([2H])ccccc1O
Properties
Computed Properties
 
Complexity:
46.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
95.048g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
1  
Molecular Weight:
95.119g/mol
Monoisotopic Mass:
95.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
Phenol-4-d1 
1003-66-3 
MFCD01075468 
PHENOL-OD 
Phenol-d 
phenol-d1 
(O-2H)Phenol 
Deuteriooxybenzene 
Literature

Title: Real-time detection of doorway states in the intramolecular vibrational energy redistribution of the OH/OD stretch vibration of phenol.

Journal: The Journal of chemical physics 20041215

Title: Orientational dynamics of hydrogen-bonded phenol.

Journal: The Journal of chemical physics 20041201

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