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Home > Aldehydes > 114790-39-5
114790-39-5 | 2-(Cbz-aMino)acetaldehyde DiMethyl Acetal
CAS No: 114790-39-5 Catalog No: AG000F7D MDL No:MFCD13184754
Product Description
Catalog Number:
AG000F7D
Chemical Name:
2-(Cbz-aMino)acetaldehyde DiMethyl Acetal
CAS Number:
114790-39-5
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
MDL Number:
MFCD13184754
IUPAC Name:
benzyl N-(2,2-dimethoxyethyl)carbamate
InChI:
InChI=1S/C12H17NO4/c1-15-11(16-2)8-13-12(14)17-9-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,13,14)
InChI Key:
SGVVZHZJVANCRU-UHFFFAOYSA-N
SMILES:
COC(CNC(=O)OCc1ccccc1)OC
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.271g/mol
Monoisotopic Mass:
239.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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