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101030-70-0 | 2-Butenamide, 3-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-
CAS No: 101030-70-0 Catalog No: AG0003LE MDL No:
Product Description
Catalog Number:
AG0003LE
Chemical Name:
2-Butenamide, 3-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-
CAS Number:
101030-70-0
Molecular Formula:
C12H14ClNO3
Molecular Weight:
255.6975
IUPAC Name:
3-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]but-2-enamide
InChI:
InChI=1S/C12H14ClNO3/c1-8(13)5-12(16)14-7-9-3-4-10(15)11(6-9)17-2/h3-6,15H,7H2,1-2H3,(H,14,16)
InChI Key:
ZZMHVRRVQFYAEQ-UHFFFAOYSA-N
SMILES:
COc1cc(CNC(=O)C=C(Cl)C)ccc1O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.698g/mol
Monoisotopic Mass:
255.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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