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Home > Aldehydes > 390410-52-3
390410-52-3 | 2-(but-3-yn-1-yloxy)benzaldehyde
CAS No: 390410-52-3 Catalog No: AG019XLR MDL No:MFCD11149405
Product Description
Catalog Number:
AG019XLR
Chemical Name:
2-(but-3-yn-1-yloxy)benzaldehyde
CAS Number:
390410-52-3
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
MDL Number:
MFCD11149405
IUPAC Name:
2-but-3-ynoxybenzaldehyde
InChI:
InChI=1S/C11H10O2/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h1,4-7,9H,3,8H2
InChI Key:
FERKOHGNNVRORC-UHFFFAOYSA-N
SMILES:
C#CCCOc1ccccc1C=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:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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