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124773-73-5 | 1-Benzoxepin, 2,3,4,5-tetrahydro-2,2-dimethyl-
CAS No: 124773-73-5 Catalog No: AG000MQF MDL No:
Product Description
Catalog Number:
AG000MQF
Chemical Name:
1-Benzoxepin, 2,3,4,5-tetrahydro-2,2-dimethyl-
CAS Number:
124773-73-5
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
2,2-dimethyl-4,5-dihydro-3H-1-benzoxepine
InChI:
InChI=1S/C12H16O/c1-12(2)9-5-7-10-6-3-4-8-11(10)13-12/h3-4,6,8H,5,7,9H2,1-2H3
InChI Key:
YEQSMEUHXKHVPE-UHFFFAOYSA-N
SMILES:
CC1(C)CCCc2c(O1)cccc2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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