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119348-97-9 | 2-Propenoic acid, 3-(4-aminophenyl)-, methyl ester, hydrochloride (1:1)
CAS No: 119348-97-9 Catalog No: AG000IMT MDL No:
Product Description
Catalog Number:
AG000IMT
Chemical Name:
2-Propenoic acid, 3-(4-aminophenyl)-, methyl ester, hydrochloride (1:1)
CAS Number:
119348-97-9
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
IUPAC Name:
methyl 3-(4-aminophenyl)prop-2-enoate;hydrochloride
InChI:
InChI=1S/C10H11NO2.ClH/c1-13-10(12)7-4-8-2-5-9(11)6-3-8;/h2-7H,11H2,1H3;1H
InChI Key:
IINGSOPKXWPBDP-UHFFFAOYSA-N
SMILES:
COC(=O)C=Cc1ccc(cc1)N.Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.661g/mol
Monoisotopic Mass:
213.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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