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139630-91-4 | 2-Propenal, 2-methyl-3-(2-methyl-4-oxazolyl)-, (2E)-
CAS No: 139630-91-4 Catalog No: AG001BER MDL No:
Product Description
Catalog Number:
AG001BER
Chemical Name:
2-Propenal, 2-methyl-3-(2-methyl-4-oxazolyl)-, (2E)-
CAS Number:
139630-91-4
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
IUPAC Name:
2-methyl-3-(2-methyl-1,3-oxazol-4-yl)prop-2-enal
InChI:
InChI=1S/C8H9NO2/c1-6(4-10)3-8-5-11-7(2)9-8/h3-5H,1-2H3
InChI Key:
REKPDRFUTJJZPF-UHFFFAOYSA-N
SMILES:
C/C(=C\c1coc(n1)C)/C=O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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