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681443-54-9 | BENZALDEHYDE, 3-ETHOXY-5-METHOXY-
CAS No: 681443-54-9 Catalog No: AG005MIV MDL No:
Product Description
Catalog Number:
AG005MIV
Chemical Name:
BENZALDEHYDE, 3-ETHOXY-5-METHOXY-
CAS Number:
681443-54-9
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
3-ethoxy-5-methoxybenzaldehyde
InChI:
InChI=1S/C10H12O3/c1-3-13-10-5-8(7-11)4-9(6-10)12-2/h4-7H,3H2,1-2H3
InChI Key:
ZVUXDBJOKROUNH-UHFFFAOYSA-N
SMILES:
CCOc1cc(OC)cc(c1)C=O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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