Home Other Building Blocks 1-Benzoxepin, 2,3,4,5-tetrahydro-5-methylene-

1-Benzoxepin, 2,3,4,5-tetrahydro-5-methylene-

CAS No.:
20426-84-0
Catalog Number:
AG0029E4
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
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Product Description
Catalog Number:
AG0029E4
Chemical Name:
1-Benzoxepin, 2,3,4,5-tetrahydro-5-methylene-
CAS Number:
20426-84-0
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
MDL Number:
MFCD08706332
IUPAC Name:
5-methylidene-3,4-dihydro-2H-1-benzoxepine
InChI:
InChI=1S/C11H12O/c1-9-5-4-8-12-11-7-3-2-6-10(9)11/h2-3,6-7H,1,4-5,8H2
InChI Key:
NDIXWUOXAVIQBZ-UHFFFAOYSA-N
SMILES:
C=C1CCCOc2c1cccc2
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.089g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties