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1053656-82-8 | [2-(3-Methoxybenzyl)-1,3-thiazol-4-yl]acetic acid
CAS No: 1053656-82-8 Catalog No: AG01F95R MDL No:
Product Description
Catalog Number:
AG01F95R
Chemical Name:
[2-(3-Methoxybenzyl)-1,3-thiazol-4-yl]acetic acid
CAS Number:
1053656-82-8
Molecular Formula:
C13H13NO3S
Molecular Weight:
263.3122
IUPAC Name:
2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C13H13NO3S/c1-17-11-4-2-3-9(5-11)6-12-14-10(8-18-12)7-13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)
InChI Key:
NGVJJXWBEWGFKO-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Cc1scc(n1)CC(=O)O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.311g/mol
Monoisotopic Mass:
263.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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