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100390-87-2 | Carbamic acid, (tetrahydro-3-furanyl)-, phenylmethyl ester (9CI)
CAS No: 100390-87-2 Catalog No: AG0001VH MDL No:
Product Description
Catalog Number:
AG0001VH
Chemical Name:
Carbamic acid, (tetrahydro-3-furanyl)-, phenylmethyl ester (9CI)
CAS Number:
100390-87-2
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
benzyl N-(oxolan-3-yl)carbamate
InChI:
InChI=1S/C12H15NO3/c14-12(13-11-6-7-15-9-11)16-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)
InChI Key:
FKFYSAGKTJGORY-UHFFFAOYSA-N
SMILES:
O=C(NC1COCC1)OCc1ccccc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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