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61315-87-5 | 3-hydroxy-4-propoxybenzaldehyde
CAS No: 61315-87-5 Catalog No: AG01DZTE MDL No:MFCD24674377
Product Description
Catalog Number:
AG01DZTE
Chemical Name:
3-hydroxy-4-propoxybenzaldehyde
CAS Number:
61315-87-5
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD24674377
IUPAC Name:
3-hydroxy-4-propoxybenzaldehyde
InChI:
InChI=1S/C10H12O3/c1-2-5-13-10-4-3-8(7-11)6-9(10)12/h3-4,6-7,12H,2,5H2,1H3
InChI Key:
PMCWOGATSZLJKS-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1O)C=O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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