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13296-57-6 | 1,2-Ethanediol, 1-(N-methylcarbamate)
CAS No: 13296-57-6 Catalog No: AG0011G7 MDL No:MFCD00085982
Product Description
Catalog Number:
AG0011G7
Chemical Name:
1,2-Ethanediol, 1-(N-methylcarbamate)
CAS Number:
13296-57-6
Molecular Formula:
C4H9NO3
Molecular Weight:
119.1192
MDL Number:
MFCD00085982
IUPAC Name:
2-hydroxyethyl N-methylcarbamate
InChI:
InChI=1S/C4H9NO3/c1-5-4(7)8-3-2-6/h6H,2-3H2,1H3,(H,5,7)
InChI Key:
SCSYMLCLRSCCAE-UHFFFAOYSA-N
SMILES:
CNC(=O)OCCO
NSC Number:
142007
Properties
Complexity:
73.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.058g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
119.12g/mol
Monoisotopic Mass:
119.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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