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Home > Aldehydes > 893735-36-9
893735-36-9 | Benzaldehyde,4-(5-acetyl-2-thienyl)-
CAS No: 893735-36-9 Catalog No: AG003XB2 MDL No:MFCD06802026
Product Description
Catalog Number:
AG003XB2
Chemical Name:
Benzaldehyde,4-(5-acetyl-2-thienyl)-
CAS Number:
893735-36-9
Molecular Formula:
C13H10O2S
Molecular Weight:
230.2823
MDL Number:
MFCD06802026
IUPAC Name:
4-(5-acetylthiophen-2-yl)benzaldehyde
InChI:
InChI=1S/C13H10O2S/c1-9(15)12-6-7-13(16-12)11-4-2-10(8-14)3-5-11/h2-8H,1H3
InChI Key:
ZBMRMJDKZHKXLQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ccc(s1)C(=O)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.281g/mol
Monoisotopic Mass:
230.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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