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58452-00-9 | 3-(Benzyloxy);-4-methoxybenzoic acid
CAS No: 58452-00-9 Catalog No: AG003IYS MDL No:
Product Description
Catalog Number:
AG003IYS
Chemical Name:
3-(Benzyloxy);-4-methoxybenzoic acid
CAS Number:
58452-00-9
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
IUPAC Name:
4-methoxy-3-phenylmethoxybenzoic acid
InChI:
InChI=1S/C15H14O4/c1-18-13-8-7-12(15(16)17)9-14(13)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
InChI Key:
YPDXIGBSOBESNI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCc1ccccc1)C(=O)O
EC Number:
261-260-0
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.273g/mol
Monoisotopic Mass:
258.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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