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851903-42-9 | 3-{4-[(dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl}prop-2-enoic acid
CAS No: 851903-42-9 Catalog No: AG019NYD MDL No:MFCD06655260
Product Description
Catalog Number:
AG019NYD
Chemical Name:
3-{4-[(dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl}prop-2-enoic acid
CAS Number:
851903-42-9
Molecular Formula:
C16H17NO5
Molecular Weight:
303.3099
MDL Number:
MFCD06655260
IUPAC Name:
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enoic acid
InChI:
InChI=1S/C16H17NO5/c1-10-13(11(2)22-17-10)9-21-14-6-4-12(5-7-16(18)19)8-15(14)20-3/h4-8H,9H2,1-3H3,(H,18,19)
InChI Key:
AGHIZDYJLUTOLB-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)O)ccc1OCc1c(C)noc1C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.314g/mol
Monoisotopic Mass:
303.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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