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18238-45-4 | 5H-Benzocyclohepten-5-one, 2-(acetyloxy)-6,7-dihydro-3-methoxy-
CAS No: 18238-45-4 Catalog No: AG0023Q6 MDL No:
Product Description
Catalog Number:
AG0023Q6
Chemical Name:
5H-Benzocyclohepten-5-one, 2-(acetyloxy)-6,7-dihydro-3-methoxy-
CAS Number:
18238-45-4
Molecular Formula:
C14H14O4
Molecular Weight:
246.2586
IUPAC Name:
(2-methoxy-9-oxo-7,8-dihydrobenzo[7]annulen-3-yl) acetate
InChI:
InChI=1S/C14H14O4/c1-9(15)18-14-7-10-5-3-4-6-12(16)11(10)8-13(14)17-2/h3,5,7-8H,4,6H2,1-2H3
InChI Key:
JLBQFBZAOSRBTQ-UHFFFAOYSA-N
SMILES:
COc1cc2C(=O)CCC=Cc2cc1OC(=O)C
NSC Number:
146102
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.262g/mol
Monoisotopic Mass:
246.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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