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17841-68-8 | Benzoic acid, 3-(aminomethyl)-, methyl ester, hydrochloride (1:1)
CAS No: 17841-68-8 Catalog No: AG002613 MDL No:MFCD04039173
Product Description
Catalog Number:
AG002613
Chemical Name:
Benzoic acid, 3-(aminomethyl)-, methyl ester, hydrochloride (1:1)
CAS Number:
17841-68-8
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
MDL Number:
MFCD04039173
IUPAC Name:
methyl 3-(aminomethyl)benzoate;hydrochloride
InChI:
InChI=1S/C9H11NO2.ClH/c1-12-9(11)8-4-2-3-7(5-8)6-10;/h2-5H,6,10H2,1H3;1H
InChI Key:
UOWRPTFJISFGPI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)CN.Cl
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.65g/mol
Monoisotopic Mass:
201.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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