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87330-19-6 | Benzaldehyde, 4-[2-(dimethylamino)ethoxy]-3-methoxy-, hydrochloride
CAS No: 87330-19-6 Catalog No: AG004L1W MDL No:
Product Description
Catalog Number:
AG004L1W
Chemical Name:
Benzaldehyde, 4-[2-(dimethylamino)ethoxy]-3-methoxy-, hydrochloride
CAS Number:
87330-19-6
Molecular Formula:
C12H18ClNO3
Molecular Weight:
259.7292
IUPAC Name:
4-[2-(dimethylamino)ethoxy]-3-methoxybenzaldehyde;hydrochloride
InChI:
InChI=1S/C12H17NO3.ClH/c1-13(2)6-7-16-11-5-4-10(9-14)8-12(11)15-3;/h4-5,8-9H,6-7H2,1-3H3;1H
InChI Key:
MKHJSHFMGCUNOK-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1OCCN(C)C.Cl
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.73g/mol
Monoisotopic Mass:
259.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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