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17781-14-5 | Carbamic acid, (hydroxymethyl)-, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl ester (8CI,9CI)
CAS No: 17781-14-5 Catalog No: AG0025KB MDL No:
Product Description
Catalog Number:
AG0025KB
Chemical Name:
Carbamic acid, (hydroxymethyl)-, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl ester (8CI,9CI)
CAS Number:
17781-14-5
Molecular Formula:
C12H15NO5
Molecular Weight:
253.2512
IUPAC Name:
(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-(hydroxymethyl)carbamate
InChI:
InChI=1S/C12H15NO5/c1-12(2)10(15)7-4-3-5-8(9(7)18-12)17-11(16)13-6-14/h3-5,10,14-15H,6H2,1-2H3,(H,13,16)
InChI Key:
VDPXMYZSPVLYIF-UHFFFAOYSA-N
SMILES:
OCNC(=O)Oc1cccc2c1OC(C2O)(C)C
Properties
Complexity:
320
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:
3
Isotope Atom Count:
0
Molecular Weight:
253.254g/mol
Monoisotopic Mass:
253.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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