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123958-37-2 | 5H-Benzocyclohepten-5-one, 4-(acetyloxy)-6,7,8,9-tetrahydro-
CAS No: 123958-37-2 Catalog No: AG000L9T MDL No:
Product Description
Catalog Number:
AG000L9T
Chemical Name:
5H-Benzocyclohepten-5-one, 4-(acetyloxy)-6,7,8,9-tetrahydro-
CAS Number:
123958-37-2
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-4-yl) acetate
InChI:
InChI=1S/C13H14O3/c1-9(14)16-12-8-4-6-10-5-2-3-7-11(15)13(10)12/h4,6,8H,2-3,5,7H2,1H3
InChI Key:
YCYLKMWPCPPMFM-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc2c1C(=O)CCCC2
UNII:
RM8UZT5WRZ
NSC Number:
680711
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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