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Home > Aldehydes > 878282-44-1
878282-44-1 | Benzaldehyde, 2-(hydroxymethyl)-3-methoxy-
CAS No: 878282-44-1 Catalog No: AG004JO0 MDL No:
Product Description
Catalog Number:
AG004JO0
Chemical Name:
Benzaldehyde, 2-(hydroxymethyl)-3-methoxy-
CAS Number:
878282-44-1
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
2-(hydroxymethyl)-3-methoxybenzaldehyde
InChI:
InChI=1S/C9H10O3/c1-12-9-4-2-3-7(5-10)8(9)6-11/h2-5,11H,6H2,1H3
InChI Key:
HWQPMOIAGCFYGY-UHFFFAOYSA-N
SMILES:
COc1cccc(c1CO)C=O
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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