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4407-89-0 | Dimethyleneglycol
CAS No: 4407-89-0 Catalog No: AG00DVCS MDL No:
Product Description
Catalog Number:
AG00DVCS
Chemical Name:
Dimethyleneglycol
CAS Number:
4407-89-0
IUPAC Name:
hydroxymethoxymethanol
InChI:
InChI=1S/C2H6O3/c3-1-5-2-4/h3-4H,1-2H2
InChI Key:
ARZLUCYKIWYSHR-UHFFFAOYSA-N
Properties
Complexity:
12.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
78.032g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
78.067g/mol
Monoisotopic Mass:
78.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
| Title | Journal |
|---|---|
| Pseudomonas aeruginosa 4-amino-4-deoxychorismate lyase: spatial conservation of an active site tyrosine and classification of two types of enzyme. | PloS one 20110101 |
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