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1119451-02-3 | (2E)-3-(3-{[(3,5-dimethylisoxazol-4-yl)methoxy]methyl}-4-methoxyphenyl)acrylic acid
CAS No: 1119451-02-3 Catalog No: AG0090N0 MDL No:MFCD12026938
Product Description
Catalog Number:
AG0090N0
Chemical Name:
(2E)-3-(3-{[(3,5-dimethylisoxazol-4-yl)methoxy]methyl}-4-methoxyphenyl)acrylic acid
CAS Number:
1119451-02-3
Molecular Formula:
C17H19NO5
Molecular Weight:
317.3365
MDL Number:
MFCD12026938
IUPAC Name:
3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxymethyl]-4-methoxyphenyl]prop-2-enoic acid
InChI:
InChI=1S/C17H19NO5/c1-11-15(12(2)23-18-11)10-22-9-14-8-13(5-7-17(19)20)4-6-16(14)21-3/h4-8H,9-10H2,1-3H3,(H,19,20)
InChI Key:
SFQQHPKWSUMXKQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1COCc1c(C)noc1C)/C=C/C(=O)O
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.341g/mol
Monoisotopic Mass:
317.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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