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18238-39-6

18238-39-6 | 2H-Benzocyclohepten-2-one, 3-hydroxy-

CAS No: 18238-39-6 Catalog No: AG0023QB MDL No:

Product Description

Catalog Number:
AG0023QB
Chemical Name:
2H-Benzocyclohepten-2-one, 3-hydroxy-
CAS Number:
18238-39-6
Molecular Formula:
C11H8O2
Molecular Weight:
172.1800
IUPAC Name:
2-hydroxybenzo[7]annulen-3-one
InChI:
InChI=1S/C11H8O2/c12-10-6-8-4-2-1-3-5-9(8)7-11(10)13/h1-7,12H
InChI Key:
NDEQXOBZASZLAN-UHFFFAOYSA-N
SMILES:
Oc1cc2cccccc2cc1=O
NSC Number:
127573

Properties

Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.052g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.183g/mol
Monoisotopic Mass:
172.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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