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28418-38-4 | (2E)-3-(1,3-oxazol-4-yl)prop-2-enoic acid, E
CAS No: 28418-38-4 Catalog No: AG01DWAT MDL No:MFCD28604718
Product Description
Catalog Number:
AG01DWAT
Chemical Name:
(2E)-3-(1,3-oxazol-4-yl)prop-2-enoic acid, E
CAS Number:
28418-38-4
Molecular Formula:
C6H5NO3
Molecular Weight:
139.1088
MDL Number:
MFCD28604718
IUPAC Name:
3-(1,3-oxazol-4-yl)prop-2-enoic acid
InChI:
InChI=1S/C6H5NO3/c8-6(9)2-1-5-3-10-4-7-5/h1-4H,(H,8,9)
InChI Key:
QNLZFVHPBRIIKI-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1cocn1
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.11g/mol
Monoisotopic Mass:
139.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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