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1375745-81-5 | Carbamic acid, N-[(tetrahydro-3-furanyl)methyl]-, phenylmethyl ester
CAS No: 1375745-81-5 Catalog No: AG0013K5 MDL No:MFCD23163890
Product Description
Catalog Number:
AG0013K5
Chemical Name:
Carbamic acid, N-[(tetrahydro-3-furanyl)methyl]-, phenylmethyl ester
CAS Number:
1375745-81-5
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD23163890
IUPAC Name:
benzyl N-(oxolan-3-ylmethyl)carbamate
InChI:
InChI=1S/C13H17NO3/c15-13(14-8-12-6-7-16-9-12)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,14,15)
InChI Key:
QZKMPOJLSPSHQC-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCC1COCC1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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