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75679-47-9 | Benzoic acid, 2-methoxy-, phenylmethyl ester
CAS No: 75679-47-9 Catalog No: AG005IXM MDL No:
Product Description
Catalog Number:
AG005IXM
Chemical Name:
Benzoic acid, 2-methoxy-, phenylmethyl ester
CAS Number:
75679-47-9
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
benzyl 2-methoxybenzoate
InChI:
InChI=1S/C15H14O3/c1-17-14-10-6-5-9-13(14)15(16)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChI Key:
QEQSUVJMTPTKRW-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=O)OCc1ccccc1
Properties
Complexity:
259
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:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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