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Home > Aldehydes > 130662-46-3
130662-46-3 | Benzaldehyde, 2-[(acetyloxy)methyl]-3-methoxy-
CAS No: 130662-46-3 Catalog No: AG000US5 MDL No:
Product Description
Catalog Number:
AG000US5
Chemical Name:
Benzaldehyde, 2-[(acetyloxy)methyl]-3-methoxy-
CAS Number:
130662-46-3
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
(2-formyl-6-methoxyphenyl)methyl acetate
InChI:
InChI=1S/C11H12O4/c1-8(13)15-7-10-9(6-12)4-3-5-11(10)14-2/h3-6H,7H2,1-2H3
InChI Key:
DEYQRLHLZVZZRV-UHFFFAOYSA-N
SMILES:
COc1cccc(c1COC(=O)C)C=O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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