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10127-55-6

10127-55-6 | 4,5-Phenanthrenediol

CAS No: 10127-55-6 Catalog No: AG000443 MDL No:

Product Description

Catalog Number:
AG000443
Chemical Name:
4,5-Phenanthrenediol
CAS Number:
10127-55-6
Molecular Formula:
C14H10O2
Molecular Weight:
210.2280
IUPAC Name:
phenanthrene-4,5-diol
InChI:
InChI=1S/C14H10O2/c15-11-5-1-3-9-7-8-10-4-2-6-12(16)14(10)13(9)11/h1-8,15-16H
InChI Key:
TWTDMNQJLRKNLJ-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1c1c(O)cccc1cc2
NSC Number:
171268

Properties

Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.068g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.232g/mol
Monoisotopic Mass:
210.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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