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94008-46-5 | BENZALDEHYDE, 5-(2-BUTENYL)-2,3,4-TRIHYDROXY-
CAS No: 94008-46-5 Catalog No: AG005W32 MDL No:
Product Description
Catalog Number:
AG005W32
Chemical Name:
BENZALDEHYDE, 5-(2-BUTENYL)-2,3,4-TRIHYDROXY-
CAS Number:
94008-46-5
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
5-[(E)-but-2-enyl]-2,3,4-trihydroxybenzaldehyde
InChI:
InChI=1S/C11H12O4/c1-2-3-4-7-5-8(6-12)10(14)11(15)9(7)13/h2-3,5-6,13-15H,4H2,1H3/b3-2+
InChI Key:
YWDPPZMIBBLYKK-NSCUHMNNSA-N
SMILES:
CC=CCc1cc(C=O)c(c(c1O)O)O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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