sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Phenol-d

Phenol-d

CAS No.:
1003-66-3
Catalog Number:
AG0001I9
Molecular Formula:
C6H5DO
Molecular Weight:
95.1174
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0001I9
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
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
Properties