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13163-64-9 | 1-Cyclohexen-1-ol, 1-benzoate
CAS No: 13163-64-9 Catalog No: AG000ZIV MDL No:
Product Description
Catalog Number:
AG000ZIV
Chemical Name:
1-Cyclohexen-1-ol, 1-benzoate
CAS Number:
13163-64-9
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
benzoic acid;cyclohexen-1-ol
InChI:
InChI=1S/C7H6O2.C6H10O/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5H,(H,8,9);4,7H,1-3,5H2
InChI Key:
NPELESVETDOIBA-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OC1=CCCCC1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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