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344276-77-3 | (2E)-3-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid
CAS No: 344276-77-3 Catalog No: AG00IYP7 MDL No:MFCD00663847
Product Description
Catalog Number:
AG00IYP7
Chemical Name:
(2E)-3-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid
CAS Number:
344276-77-3
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
MDL Number:
MFCD00663847
IUPAC Name:
3-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid
InChI:
InChI=1S/C17H13NO3/c1-11-2-6-13(7-3-11)17-14-10-12(5-9-16(19)20)4-8-15(14)18-21-17/h2-10H,1H3,(H,19,20)
InChI Key:
YPDPEHKRYOMXIP-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1ccc2c(c1)c(on2)c1ccc(cc1)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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