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260967-14-4 | Carbamic acid, N-(1E)-1-propen-1-yl-, phenylmethyl ester
CAS No: 260967-14-4 Catalog No: AG002RMW MDL No:MFCD30183516
Product Description
Catalog Number:
AG002RMW
Chemical Name:
Carbamic acid, N-(1E)-1-propen-1-yl-, phenylmethyl ester
CAS Number:
260967-14-4
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD30183516
IUPAC Name:
benzyl N-[(E)-prop-1-enyl]carbamate
InChI:
InChI=1S/C11H13NO2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10/h2-8H,9H2,1H3,(H,12,13)/b8-2+
InChI Key:
QVMNEPDAKLAFOH-KRXBUXKQSA-N
SMILES:
C/C=C/NC(=O)OCc1ccccc1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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