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130409-59-5 | 1-Cyclohexen-1-ol, 2-(phenylmethyl)-, 1-propanoate
CAS No: 130409-59-5 Catalog No: AG000UE9 MDL No:
Product Description
Catalog Number:
AG000UE9
Chemical Name:
1-Cyclohexen-1-ol, 2-(phenylmethyl)-, 1-propanoate
CAS Number:
130409-59-5
Molecular Formula:
C16H20O2
Molecular Weight:
244.3288
IUPAC Name:
2-benzylcyclohexen-1-ol;propanoic acid
InChI:
InChI=1S/C13H16O.C3H6O2/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;1-2-3(4)5/h1-3,6-7,14H,4-5,8-10H2;2H2,1H3,(H,4,5)
InChI Key:
HBLPZFFSCQDREJ-UHFFFAOYSA-N
SMILES:
CCC(=O)OC1=C(CCCC1)Cc1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.349g/mol
Monoisotopic Mass:
262.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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