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Home > Aldehydes > 824955-55-7
824955-55-7 | 4-Benzofurancarboxaldehyde, 5-hydroxy-2-(1E)-1-pentenyl-
CAS No: 824955-55-7 Catalog No: AG00594J MDL No:
Product Description
Catalog Number:
AG00594J
Chemical Name:
4-Benzofurancarboxaldehyde, 5-hydroxy-2-(1E)-1-pentenyl-
CAS Number:
824955-55-7
Molecular Formula:
C14H14O3
Molecular Weight:
230.2592
IUPAC Name:
5-hydroxy-2-pent-1-enyl-1-benzofuran-4-carbaldehyde
InChI:
InChI=1S/C14H14O3/c1-2-3-4-5-10-8-11-12(9-15)13(16)6-7-14(11)17-10/h4-9,16H,2-3H2,1H3
InChI Key:
YBEKEVJDAKBMRA-UHFFFAOYSA-N
SMILES:
CCC/C=C/c1oc2c(c1)c(C=O)c(cc2)O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.263g/mol
Monoisotopic Mass:
230.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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