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88037-35-8 | 3-(BENZOYLOXY)-2-METHYL-2-PROPENAL
CAS No: 88037-35-8 Catalog No: AG004GFT MDL No:
Product Description
Catalog Number:
AG004GFT
Chemical Name:
3-(BENZOYLOXY)-2-METHYL-2-PROPENAL
CAS Number:
88037-35-8
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
IUPAC Name:
[(E)-2-methyl-3-oxoprop-1-enyl] benzoate
InChI:
InChI=1S/C11H10O3/c1-9(7-12)8-14-11(13)10-5-3-2-4-6-10/h2-8H,1H3/b9-8+
InChI Key:
NIHSUJGYEAFJNV-CMDGGOBGSA-N
SMILES:
O=CC(=COC(=O)c1ccccc1)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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