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123743-85-1 | 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2-piperazinyl ester
CAS No: 123743-85-1 Catalog No: AG000L0X MDL No:
Product Description
Catalog Number:
AG000L0X
Chemical Name:
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2-piperazinyl ester
CAS Number:
123743-85-1
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
IUPAC Name:
piperazin-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C14H18N2O4/c1-19-12-8-10(2-4-11(12)17)3-5-14(18)20-13-9-15-6-7-16-13/h2-5,8,13,15-17H,6-7,9H2,1H3
InChI Key:
YDAWJUXLOBMHGW-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)OC2CNCCN2)ccc1O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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