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1154063-16-7 | Benzoic acid, 3-(iminomethoxymethyl)-, methyl ester, hydrochloride (1:1)
CAS No: 1154063-16-7 Catalog No: AG000FXZ MDL No:MFCD10697976
Product Description
Catalog Number:
AG000FXZ
Chemical Name:
Benzoic acid, 3-(iminomethoxymethyl)-, methyl ester, hydrochloride (1:1)
CAS Number:
1154063-16-7
Molecular Formula:
C10H12ClNO3
Molecular Weight:
229.6602
MDL Number:
MFCD10697976
IUPAC Name:
methyl 3-(C-methoxycarbonimidoyl)benzoate;hydrochloride
InChI:
InChI=1S/C10H11NO3.ClH/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2;/h3-6,11H,1-2H3;1H
InChI Key:
IILHNVRSXRFFIY-UHFFFAOYSA-N
SMILES:
N=COCc1cccc(c1)C(=O)OC.Cl
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.66g/mol
Monoisotopic Mass:
229.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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