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160648-26-0 | Benzoic acid, 4-(3-methoxy-3-oxo-1-propen-1-yl)-
CAS No: 160648-26-0 Catalog No: AG001S3I MDL No:MFCD13659447
Product Description
Catalog Number:
AG001S3I
Chemical Name:
Benzoic acid, 4-(3-methoxy-3-oxo-1-propen-1-yl)-
CAS Number:
160648-26-0
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
MDL Number:
MFCD13659447
IUPAC Name:
4-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoic acid
InChI:
InChI=1S/C11H10O4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-7H,1H3,(H,13,14)/b7-4+
InChI Key:
WNQUXRWZRJWTBX-QPJJXVBHSA-N
SMILES:
COC(=O)C=Cc1ccc(cc1)C(=O)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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