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823813-31-6 | Cyclohexanol, 2-methyl-1-phenyl-, acetate
CAS No: 823813-31-6 Catalog No: AG004Y0D MDL No:
Product Description
Catalog Number:
AG004Y0D
Chemical Name:
Cyclohexanol, 2-methyl-1-phenyl-, acetate
CAS Number:
823813-31-6
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
acetic acid;2-methyl-1-phenylcyclohexan-1-ol
InChI:
InChI=1S/C13H18O.C2H4O2/c1-11-7-5-6-10-13(11,14)12-8-3-2-4-9-12;1-2(3)4/h2-4,8-9,11,14H,5-7,10H2,1H3;1H3,(H,3,4)
InChI Key:
QKMLWTVOYNOQEC-UHFFFAOYSA-N
SMILES:
CC1CCCCC1(O)c1ccccc1.CC(=O)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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