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18259-45-5 | 5H-Dibenzo[a,d]cyclohepten-5-ol, 5-methyl-
CAS No: 18259-45-5 Catalog No: AG0023ZN MDL No:
Product Description
Catalog Number:
AG0023ZN
Chemical Name:
5H-Dibenzo[a,d]cyclohepten-5-ol, 5-methyl-
CAS Number:
18259-45-5
Molecular Formula:
C16H14O
Molecular Weight:
222.2818
IUPAC Name:
2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
InChI:
InChI=1S/C16H14O/c1-16(17)14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)16/h2-11,17H,1H3
InChI Key:
KLQHVNZBDPYFDJ-UHFFFAOYSA-N
SMILES:
CC1(O)c2ccccc2C=Cc2c1cccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.287g/mol
Monoisotopic Mass:
222.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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