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54057-95-3 | 3-(4-Aminophenyl);acrylic acid hydrochloride
CAS No: 54057-95-3 Catalog No: AG003KR9 MDL No:
Product Description
Catalog Number:
AG003KR9
Chemical Name:
3-(4-Aminophenyl);acrylic acid hydrochloride
CAS Number:
54057-95-3
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
IUPAC Name:
(E)-3-(4-aminophenyl)prop-2-enoic acid;hydrochloride
InChI:
InChI=1S/C9H9NO2.ClH/c10-8-4-1-7(2-5-8)3-6-9(11)12;/h1-6H,10H2,(H,11,12);1H/b6-3+;
InChI Key:
SFRAURMUQMJLPG-ZIKNSQGESA-N
SMILES:
OC(=O)/C=C/c1ccc(cc1)N.Cl
EC Number:
258-940-4
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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