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291-70-3

291-70-3 | Oxepin

CAS No: 291-70-3 Catalog No: AG002XC4 MDL No:

Product Description

Catalog Number:
AG002XC4
Chemical Name:
Oxepin
CAS Number:
291-70-3
Molecular Formula:
C6H6O
Molecular Weight:
94.1112
IUPAC Name:
oxepine
InChI:
InChI=1S/C6H6O/c1-2-4-6-7-5-3-1/h1-6H
InChI Key:
ATYBXHSAIOKLMG-UHFFFAOYSA-N
SMILES:
C1=CC=CC=CO1

Properties

Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.042g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.113g/mol
Monoisotopic Mass:
94.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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