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81263-46-9 | Carbamic acid, (4-formylphenyl)-, butyl ester
CAS No: 81263-46-9 Catalog No: AG00545X MDL No:
Product Description
Catalog Number:
AG00545X
Chemical Name:
Carbamic acid, (4-formylphenyl)-, butyl ester
CAS Number:
81263-46-9
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
butyl N-(4-formylphenyl)carbamate
InChI:
InChI=1S/C12H15NO3/c1-2-3-8-16-12(15)13-11-6-4-10(9-14)5-7-11/h4-7,9H,2-3,8H2,1H3,(H,13,15)
InChI Key:
XEQSSVASDFEDAB-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Nc1ccc(cc1)C=O
Properties
Complexity:
222
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:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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