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57643-36-4 | 3-(2-HYDROXY-ETHOXY)-4-METHOXY-BENZALDEHYDE
CAS No: 57643-36-4 Catalog No: AG01EMB0 MDL No:MFCD08696459
Product Description
Catalog Number:
AG01EMB0
Chemical Name:
3-(2-HYDROXY-ETHOXY)-4-METHOXY-BENZALDEHYDE
CAS Number:
57643-36-4
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD08696459
IUPAC Name:
3-(2-hydroxyethoxy)-4-methoxybenzaldehyde
InChI:
InChI=1S/C10H12O4/c1-13-9-3-2-8(7-12)6-10(9)14-5-4-11/h2-3,6-7,11H,4-5H2,1H3
InChI Key:
XFRMLRGPYHHCQK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCCO)C=O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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