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144072-30-0 | Carbamic acid, N-(4-formylphenyl)-, 1,1-dimethylethyl ester
CAS No: 144072-30-0 Catalog No: AG001IV1 MDL No:MFCD06245541
Product Description
Catalog Number:
AG001IV1
Chemical Name:
Carbamic acid, N-(4-formylphenyl)-, 1,1-dimethylethyl ester
CAS Number:
144072-30-0
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD06245541
IUPAC Name:
tert-butyl N-(4-formylphenyl)carbamate
InChI:
InChI=1S/C12H15NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h4-8H,1-3H3,(H,13,15)
InChI Key:
SVQVBAUJEKSBEC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)NC(=O)OC(C)(C)C
Properties
Complexity:
250
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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