CID 19917684
PubChem CID
19917684
Structure
Molecular Formula
Status
Non-live
Molecular Weight
199.18 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
1-(2-aminophenyl)ethanol;nitrate
InChI=1S/C8H11NO.NO3/c1-6(10)7-4-2-3-5-8(7)9;2-1(3)4/h2-6,10H,9H2,1H3;/q;-1
HXCNZQBKBHERAJ-UHFFFAOYSA-N
CC(C1=CC=CC=C1N)O.[N+](=O)([O-])[O-]
C8H11N2O4-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
199.18 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
199.07188184 g/mol
Property Name
Monoisotopic Mass
Property Value
199.07188184 g/mol
Property Name
Topological Polar Surface Area
Property Value
109 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
124
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS