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18238-43-2 | 5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-2-hydroxy-3-methoxy-
CAS No: 18238-43-2 Catalog No: AG0023Q8 MDL No:
Product Description
Catalog Number:
AG0023Q8
Chemical Name:
5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-2-hydroxy-3-methoxy-
CAS Number:
18238-43-2
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
2-hydroxy-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
InChI:
InChI=1S/C12H14O3/c1-15-12-7-9-8(6-11(12)14)4-2-3-5-10(9)13/h6-7,14H,2-5H2,1H3
InChI Key:
FINMLVHBTLKKKH-UHFFFAOYSA-N
SMILES:
COc1cc2C(=O)CCCCc2cc1O
NSC Number:
146105
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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