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161578-92-3 | Benzoic acid, 4-methoxy-, 1-cyclohexen-1-ylmethyl ester
CAS No: 161578-92-3 Catalog No: AG001VOZ MDL No:
Product Description
Catalog Number:
AG001VOZ
Chemical Name:
Benzoic acid, 4-methoxy-, 1-cyclohexen-1-ylmethyl ester
CAS Number:
161578-92-3
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
cyclohexen-1-ylmethyl 4-methoxybenzoate
InChI:
InChI=1S/C15H18O3/c1-17-14-9-7-13(8-10-14)15(16)18-11-12-5-3-2-4-6-12/h5,7-10H,2-4,6,11H2,1H3
InChI Key:
YTOADMMHYFXNEF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)OCC1=CCCCC1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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