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20883-94-7 | Benzoic acid, 4-(3-methoxy-3-oxo-1-propen-1-yl)-, methyl ester
CAS No: 20883-94-7 Catalog No: AG002JXI MDL No:MFCD00454252
Product Description
Catalog Number:
AG002JXI
Chemical Name:
Benzoic acid, 4-(3-methoxy-3-oxo-1-propen-1-yl)-, methyl ester
CAS Number:
20883-94-7
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD00454252
IUPAC Name:
methyl 4-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoate
InChI:
InChI=1S/C12H12O4/c1-15-11(13)8-5-9-3-6-10(7-4-9)12(14)16-2/h3-8H,1-2H3/b8-5+
InChI Key:
OHHRWWCYKPUJOW-VMPITWQZSA-N
SMILES:
COC(=O)C=Cc1ccc(cc1)C(=O)OC
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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