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29973-91-9 | 4-Benzyloxy-3-methoxyphenylacetic acid
CAS No: 29973-91-9 Catalog No: AG003KTF MDL No:MFCD00185562
Product Description
Catalog Number:
AG003KTF
Chemical Name:
4-Benzyloxy-3-methoxyphenylacetic acid
CAS Number:
29973-91-9
Molecular Formula:
C16H16O4
Molecular Weight:
272.2958
MDL Number:
MFCD00185562
IUPAC Name:
2-(3-methoxy-4-phenylmethoxyphenyl)acetic acid
InChI:
InChI=1S/C16H16O4/c1-19-15-9-13(10-16(17)18)7-8-14(15)20-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,17,18)
InChI Key:
AYCIHUSEBJLTBF-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCc1ccccc1)CC(=O)O
NSC Number:
169521
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.3g/mol
Monoisotopic Mass:
272.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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