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915921-81-2 | 3-(HYDROXYMETHYL)-4-PROPOXYBENZALDEHYDE
CAS No: 915921-81-2 Catalog No: AG006GKV MDL No:MFCD08753026
Product Description
Catalog Number:
AG006GKV
Chemical Name:
3-(HYDROXYMETHYL)-4-PROPOXYBENZALDEHYDE
CAS Number:
915921-81-2
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD08753026
IUPAC Name:
3-(hydroxymethyl)-4-propoxybenzaldehyde
InChI:
InChI=1S/C11H14O3/c1-2-5-14-11-4-3-9(7-12)6-10(11)8-13/h3-4,6-7,13H,2,5,8H2,1H3
InChI Key:
HLQBRHXEHNHRJT-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1CO)C=O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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