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30926-51-3 | Butanoic acid, 2-acetyl-3-oxo-, 2-propen-1-yl ester
CAS No: 30926-51-3 Catalog No: AG0031OS MDL No:
Product Description
Catalog Number:
AG0031OS
Chemical Name:
Butanoic acid, 2-acetyl-3-oxo-, 2-propen-1-yl ester
CAS Number:
30926-51-3
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
IUPAC Name:
prop-2-enyl 2-acetyl-3-oxobutanoate
InChI:
InChI=1S/C9H12O4/c1-4-5-13-9(12)8(6(2)10)7(3)11/h4,8H,1,5H2,2-3H3
InChI Key:
VYYXNEFTRUNFCV-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)C(C(=O)C)C(=O)C
EC Number:
250-394-5
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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