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85030-55-3 | 2-(HYDROXYMETHYL)-2-METHYL-3-(METHYLTHIO)PROPIONALDEHYDE
CAS No: 85030-55-3 Catalog No: AG004ZVO MDL No:
Product Description
Catalog Number:
AG004ZVO
Chemical Name:
2-(HYDROXYMETHYL)-2-METHYL-3-(METHYLTHIO)PROPIONALDEHYDE
CAS Number:
85030-55-3
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
IUPAC Name:
2-(hydroxymethyl)-2-methyl-3-methylsulfanylpropanal
InChI:
InChI=1S/C6H12O2S/c1-6(3-7,4-8)5-9-2/h3,8H,4-5H2,1-2H3
InChI Key:
NVDKDIBCMMSYTO-UHFFFAOYSA-N
SMILES:
CC(C=O)(CO)CSC
EC Number:
285-181-6
Properties
Complexity:
95.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.22g/mol
Monoisotopic Mass:
148.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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