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27035-41-2 | 5-METHYL-1-BENZOTHIOPHENE-2-CARBALDEHYDE
CAS No: 27035-41-2 Catalog No: AG00BCPO MDL No:MFCD05865141
Product Description
Catalog Number:
AG00BCPO
Chemical Name:
5-METHYL-1-BENZOTHIOPHENE-2-CARBALDEHYDE
CAS Number:
27035-41-2
Molecular Formula:
C10H8OS
Molecular Weight:
176.2349
MDL Number:
MFCD05865141
IUPAC Name:
5-methyl-1-benzothiophene-2-carbaldehyde
InChI:
InChI=1S/C10H8OS/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h2-6H,1H3
InChI Key:
SIHFZJLPKQUYAH-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(s1)ccc(c2)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.233g/mol
Monoisotopic Mass:
176.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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