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79950-42-8 | 2-Allyl-3-hydroxybenzaldehyde
CAS No: 79950-42-8 Catalog No: AG0054FD MDL No:MFCD00100646
Product Description
Catalog Number:
AG0054FD
Chemical Name:
2-Allyl-3-hydroxybenzaldehyde
CAS Number:
79950-42-8
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD00100646
IUPAC Name:
3-hydroxy-2-prop-2-enylbenzaldehyde
InChI:
InChI=1S/C10H10O2/c1-2-4-9-8(7-11)5-3-6-10(9)12/h2-3,5-7,12H,1,4H2
InChI Key:
QVHRAGBOMUXWRI-UHFFFAOYSA-N
SMILES:
C=CCc1c(O)cccc1C=O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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