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Home > Aldehydes > 137380-49-5
137380-49-5 | Benzaldehyde, 3-(hydroxymethyl)-2,4,6-trimethyl-
CAS No: 137380-49-5 Catalog No: AG001385 MDL No:MFCD00297149
Product Description
Catalog Number:
AG001385
Chemical Name:
Benzaldehyde, 3-(hydroxymethyl)-2,4,6-trimethyl-
CAS Number:
137380-49-5
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00297149
IUPAC Name:
3-(hydroxymethyl)-2,4,6-trimethylbenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-7-4-8(2)11(6-13)9(3)10(7)5-12/h4-5,13H,6H2,1-3H3
InChI Key:
GJSOCYDNDMREOL-UHFFFAOYSA-N
SMILES:
OCc1c(C)cc(c(c1C)C=O)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:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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