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176980-36-2 | Carbamic acid, N-(3-formylphenyl)-, 1,1-dimethylethyl ester
CAS No: 176980-36-2 Catalog No: AG00251H MDL No:MFCD06660380
Product Description
Catalog Number:
AG00251H
Chemical Name:
Carbamic acid, N-(3-formylphenyl)-, 1,1-dimethylethyl ester
CAS Number:
176980-36-2
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD06660380
IUPAC Name:
tert-butyl N-(3-formylphenyl)carbamate
InChI:
InChI=1S/C12H15NO3/c1-12(2,3)16-11(15)13-10-6-4-5-9(7-10)8-14/h4-8H,1-3H3,(H,13,15)
InChI Key:
JEUBPGIHGQWLAJ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)NC(=O)OC(C)(C)C
Properties
Complexity:
258
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:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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