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2082-21-5 | Cycloheptanol, 1-phenyl-
CAS No: 2082-21-5 Catalog No: AG002JKO MDL No:
Product Description
Catalog Number:
AG002JKO
Chemical Name:
Cycloheptanol, 1-phenyl-
CAS Number:
2082-21-5
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
1-phenylcycloheptan-1-ol
InChI:
InChI=1S/C13H18O/c14-13(10-6-1-2-7-11-13)12-8-4-3-5-9-12/h3-5,8-9,14H,1-2,6-7,10-11H2
InChI Key:
SVBIRSGHXXHJBT-UHFFFAOYSA-N
SMILES:
OC1(CCCCCC1)c1ccccc1
NSC Number:
405226
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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