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Home > Aldehydes > 959237-03-7
959237-03-7 | 3-(HYDROXYMETHYL)-4-ISOPROPOXYBENZALDEHYDE
CAS No: 959237-03-7 Catalog No: AG005WJ7 MDL No:MFCD03180282
Product Description
Catalog Number:
AG005WJ7
Chemical Name:
3-(HYDROXYMETHYL)-4-ISOPROPOXYBENZALDEHYDE
CAS Number:
959237-03-7
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD03180282
IUPAC Name:
3-(hydroxymethyl)-4-propan-2-yloxybenzaldehyde
InChI:
InChI=1S/C11H14O3/c1-8(2)14-11-4-3-9(6-12)5-10(11)7-13/h3-6,8,13H,7H2,1-2H3
InChI Key:
JQXDMMRPSMKGSR-UHFFFAOYSA-N
SMILES:
OCc1cc(C=O)ccc1OC(C)C
Properties
Complexity:
179
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:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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