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13973-72-3 | 1,2-Ethanediol, 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-, 2-(N-methylcarbamate)
CAS No: 13973-72-3 Catalog No: AG001BMQ MDL No:
Product Description
Catalog Number:
AG001BMQ
Chemical Name:
1,2-Ethanediol, 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-, 2-(N-methylcarbamate)
CAS Number:
13973-72-3
Molecular Formula:
C12H15NO5
Molecular Weight:
253.2512
IUPAC Name:
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-methylcarbamate
InChI:
InChI=1S/C12H15NO5/c1-13-12(15)17-6-8(14)11-7-16-9-4-2-3-5-10(9)18-11/h2-5,8,11,14H,6-7H2,1H3,(H,13,15)
InChI Key:
FZSIVUZWRRJFSM-UHFFFAOYSA-N
SMILES:
CNC(=O)OCC(C1COc2c(O1)cccc2)O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.254g/mol
Monoisotopic Mass:
253.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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