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790-16-9 | Benzaldehyde, 4-(benzoyloxy)-3-methoxy-
CAS No: 790-16-9 Catalog No: AG008N6F MDL No:MFCD00117877
Product Description
Catalog Number:
AG008N6F
Chemical Name:
Benzaldehyde, 4-(benzoyloxy)-3-methoxy-
CAS Number:
790-16-9
Molecular Formula:
C15H12O4
Molecular Weight:
256.2534
MDL Number:
MFCD00117877
IUPAC Name:
(4-formyl-2-methoxyphenyl) benzoate
InChI:
InChI=1S/C15H12O4/c1-18-14-9-11(10-16)7-8-13(14)19-15(17)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
QOIUOGAGPASFII-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1OC(=O)c1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.257g/mol
Monoisotopic Mass:
256.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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