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14949-49-6 | 1-Benzoxepin, 2,3-dihydro-
CAS No: 14949-49-6 Catalog No: AG001LRM MDL No:MFCD22681566
Product Description
Catalog Number:
AG001LRM
Chemical Name:
1-Benzoxepin, 2,3-dihydro-
CAS Number:
14949-49-6
Molecular Formula:
C10H10O
Molecular Weight:
146.1858
MDL Number:
MFCD22681566
IUPAC Name:
2,3-dihydro-1-benzoxepine
InChI:
InChI=1S/C10H10O/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-3,5-7H,4,8H2
InChI Key:
HXXJUMQRVNQWSF-UHFFFAOYSA-N
SMILES:
C1C=Cc2c(OC1)cccc2
NSC Number:
84068
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.073g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.189g/mol
Monoisotopic Mass:
146.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Bioactive metabolites from cultures of basidiomycete Favolaschia tonkinensis. | Journal of natural products 20100423 |
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