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116453-16-8 | 1,3,6-Cycloheptatrien-1-ol
CAS No: 116453-16-8 Catalog No: AG000CJA MDL No:
Product Description
Catalog Number:
AG000CJA
Chemical Name:
1,3,6-Cycloheptatrien-1-ol
CAS Number:
116453-16-8
Molecular Formula:
C7H8O
Molecular Weight:
108.1378
IUPAC Name:
cyclohepta-1,3,6-trien-1-ol
InChI:
InChI=1S/C7H8O/c8-7-5-3-1-2-4-6-7/h1,3-6,8H,2H2
InChI Key:
SRRXREVXVRCGEN-UHFFFAOYSA-N
SMILES:
OC1=CC=CCC=C1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.058g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
108.14g/mol
Monoisotopic Mass:
108.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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