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1003-66-3 | Phenol-d
CAS No: 1003-66-3 Catalog No: AG0001I9 MDL No:
Product Description
Catalog Number:
AG0001I9
Chemical Name:
Phenol-d
CAS Number:
1003-66-3
Molecular Formula:
C6H5DO
Molecular Weight:
95.1174
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
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
Literature
| Title | Journal |
|---|---|
| Real-time detection of doorway states in the intramolecular vibrational energy redistribution of the OH/OD stretch vibration of phenol. | The Journal of chemical physics 20041215 |
| Orientational dynamics of hydrogen-bonded phenol. | The Journal of chemical physics 20041201 |
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