Home Other Building Blocks (2E)-3-(1,3-oxazol-2-yl)prop-2-enoic acid

(2E)-3-(1,3-oxazol-2-yl)prop-2-enoic acid

CAS No.:
871722-51-9
Catalog Number:
AG01EM48
Molecular Formula:
C6H5NO3
Molecular Weight:
139.1088
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Product Description
Catalog Number:
AG01EM48
Chemical Name:
(2E)-3-(1,3-oxazol-2-yl)prop-2-enoic acid
CAS Number:
871722-51-9
Molecular Formula:
C6H5NO3
Molecular Weight:
139.1088
MDL Number:
MFCD26711525
IUPAC Name:
(E)-3-(1,3-oxazol-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C6H5NO3/c8-6(9)2-1-5-7-3-4-10-5/h1-4H,(H,8,9)/b2-1+
InChI Key:
LAGHCCNIKUMZQM-OWOJBTEDSA-N
SMILES:
OC(=O)/C=C/c1ncco1
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
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:
0
XLogP3:
0.3  
Properties