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25073-23-8 | 2-Propenal, 3-oxiranyl-, (2Z)- (9CI)
CAS No: 25073-23-8 Catalog No: AG002QE8 MDL No:
Product Description
Catalog Number:
AG002QE8
Chemical Name:
2-Propenal, 3-oxiranyl-, (2Z)- (9CI)
CAS Number:
25073-23-8
Molecular Formula:
C5H6O2
Molecular Weight:
98.0999
IUPAC Name:
(Z)-3-(oxiran-2-yl)prop-2-enal
InChI:
InChI=1S/C5H6O2/c6-3-1-2-5-4-7-5/h1-3,5H,4H2/b2-1-
InChI Key:
MCZFDRQUPJCHON-UPHRSURJSA-N
SMILES:
O=C/C=C\C1CO1
Properties
Complexity:
96.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
98.037g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.101g/mol
Monoisotopic Mass:
98.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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