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Home > Aldehydes > 403507-41-5
403507-41-5 | Benzaldehyde, 2-ethoxy-5-(2-propynyloxy)- (9CI)
CAS No: 403507-41-5 Catalog No: AG0073F3 MDL No:
Product Description
Catalog Number:
AG0073F3
Chemical Name:
Benzaldehyde, 2-ethoxy-5-(2-propynyloxy)- (9CI)
CAS Number:
403507-41-5
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
2-ethoxy-5-prop-2-ynoxybenzaldehyde
InChI:
InChI=1S/C12H12O3/c1-3-7-15-11-5-6-12(14-4-2)10(8-11)9-13/h1,5-6,8-9H,4,7H2,2H3
InChI Key:
WHMCPWWKZKKUPM-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C=O)OCC#C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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