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80151-10-6 | 4-(3-HYDROXY-1-PROPYN-1-YL)BENZALDEHYDE
CAS No: 80151-10-6 Catalog No: AG005CKG MDL No:MFCD04039088
Product Description
Catalog Number:
AG005CKG
Chemical Name:
4-(3-HYDROXY-1-PROPYN-1-YL)BENZALDEHYDE
CAS Number:
80151-10-6
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
MDL Number:
MFCD04039088
IUPAC Name:
4-(3-hydroxyprop-1-ynyl)benzaldehyde
InChI:
InChI=1S/C10H8O2/c11-7-1-2-9-3-5-10(8-12)6-4-9/h3-6,8,11H,7H2
InChI Key:
OVQZFRWRLDQPPW-UHFFFAOYSA-N
SMILES:
OCC#Cc1ccc(cc1)C=O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.172g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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