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Home > Other Heterocycles > 7109-81-1
7109-81-1 | Benzoic acid, 4-methoxy-, bicyclo[2.2.1]hepta-2,5-dien-7-yl ester
CAS No: 7109-81-1 Catalog No: AG0060DD MDL No:
Product Description
Catalog Number:
AG0060DD
Chemical Name:
Benzoic acid, 4-methoxy-, bicyclo[2.2.1]hepta-2,5-dien-7-yl ester
CAS Number:
7109-81-1
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
7-bicyclo[2.2.1]hepta-2,5-dienyl 4-methoxybenzoate
InChI:
InChI=1S/C15H14O3/c1-17-13-8-6-12(7-9-13)15(16)18-14-10-2-3-11(14)5-4-10/h2-11,14H,1H3
InChI Key:
NVCYOONVBNOIEE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)OC1C2C=CC1C=C2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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