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Home > Aldehydes > 887405-37-0
887405-37-0 | 4-(3-HYDROXYPROP-1-YN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS No: 887405-37-0 Catalog No: AG004E1R MDL No:MFCD08059972
Product Description
Catalog Number:
AG004E1R
Chemical Name:
4-(3-HYDROXYPROP-1-YN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS Number:
887405-37-0
Molecular Formula:
C8H6O2S
Molecular Weight:
166.1970
MDL Number:
MFCD08059972
IUPAC Name:
4-(3-hydroxyprop-1-ynyl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C8H6O2S/c9-3-1-2-7-4-8(5-10)11-6-7/h4-6,9H,3H2
InChI Key:
OHLMKJIMVBAUNN-UHFFFAOYSA-N
SMILES:
OCC#Cc1csc(c1)C=O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.194g/mol
Monoisotopic Mass:
166.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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