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921766-33-8

921766-33-8 | Carbamic acid, N-[1-(hydroxymethyl)-2-propen-1-yl]-, phenyl ester

CAS No: 921766-33-8 Catalog No: AG006GKQ MDL No:

Product Description

Catalog Number:
AG006GKQ
Chemical Name:
Carbamic acid, N-[1-(hydroxymethyl)-2-propen-1-yl]-, phenyl ester
CAS Number:
921766-33-8
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
phenyl N-(1-hydroxybut-3-en-2-yl)carbamate
InChI:
InChI=1S/C11H13NO3/c1-2-9(8-13)12-11(14)15-10-6-4-3-5-7-10/h2-7,9,13H,1,8H2,(H,12,14)
InChI Key:
XPYHZLURTDSTCF-UHFFFAOYSA-N
SMILES:
OCC(NC(=O)Oc1ccccc1)C=C

Properties

Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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