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85030-53-1 | 3-HYDROXY-2-(METHOXYMETHYL)-2-METHYLPROPIONALDEHYDE
CAS No: 85030-53-1 Catalog No: AG008H12 MDL No:
Product Description
Catalog Number:
AG008H12
Chemical Name:
3-HYDROXY-2-(METHOXYMETHYL)-2-METHYLPROPIONALDEHYDE
CAS Number:
85030-53-1
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
2-(hydroxymethyl)-3-methoxy-2-methylpropanal
InChI:
InChI=1S/C6H12O3/c1-6(3-7,4-8)5-9-2/h3,8H,4-5H2,1-2H3
InChI Key:
IGLBINVHKGTFGH-UHFFFAOYSA-N
SMILES:
CC(C=O)(CO)COC
EC Number:
285-179-5
Properties
Complexity:
92.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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