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17910-72-4 | 5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-2-methoxy-
CAS No: 17910-72-4 Catalog No: AG0026T4 MDL No:MFCD04114365
Product Description
Catalog Number:
AG0026T4
Chemical Name:
5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-2-methoxy-
CAS Number:
17910-72-4
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
MDL Number:
MFCD04114365
IUPAC Name:
6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
InChI:
InChI=1S/C16H14O2/c1-18-13-8-9-15-12(10-13)7-6-11-4-2-3-5-14(11)16(15)17/h2-5,8-10H,6-7H2,1H3
InChI Key:
BRFQZKLQUBMUAM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCc1c(C2=O)cccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.286g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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