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189952-68-9 | Carbamic acid, (1-formyl-2-phenylethenyl)-, 1,1-dimethylethyl ester (9CI)
CAS No: 189952-68-9 Catalog No: AG002E6I MDL No:
Product Description
Catalog Number:
AG002E6I
Chemical Name:
Carbamic acid, (1-formyl-2-phenylethenyl)-, 1,1-dimethylethyl ester (9CI)
CAS Number:
189952-68-9
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
tert-butyl N-(3-oxo-1-phenylprop-1-en-2-yl)carbamate
InChI:
InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,15,17)
InChI Key:
UKHBPKIRYCMBCP-UHFFFAOYSA-N
SMILES:
O=CC(=Cc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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