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87517-43-9 | Benzaldehyde, 4-[(2-methoxy-1-methylene-2-propenyl)thio]-
CAS No: 87517-43-9 Catalog No: AG004DJO MDL No:
Product Description
Catalog Number:
AG004DJO
Chemical Name:
Benzaldehyde, 4-[(2-methoxy-1-methylene-2-propenyl)thio]-
CAS Number:
87517-43-9
Molecular Formula:
C12H12O2S
Molecular Weight:
220.2875
IUPAC Name:
4-(3-methoxybuta-1,3-dien-2-ylsulfanyl)benzaldehyde
InChI:
InChI=1S/C12H12O2S/c1-9(14-3)10(2)15-12-6-4-11(8-13)5-7-12/h4-8H,1-2H2,3H3
InChI Key:
GYHNFPFFEAMRJY-UHFFFAOYSA-N
SMILES:
COC(=C)C(=C)Sc1ccc(cc1)C=O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.286g/mol
Monoisotopic Mass:
220.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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