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77265-67-9 | Benzoic acid, 4-(2-aminoethyl)-, methyl ester
CAS No: 77265-67-9 Catalog No: AG005D36 MDL No:MFCD08059240
Product Description
Catalog Number:
AG005D36
Chemical Name:
Benzoic acid, 4-(2-aminoethyl)-, methyl ester
CAS Number:
77265-67-9
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD08059240
IUPAC Name:
methyl 4-(2-aminoethyl)benzoate
InChI:
InChI=1S/C10H13NO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5H,6-7,11H2,1H3
InChI Key:
XGBXOGQDEAGJKO-UHFFFAOYSA-N
SMILES:
NCCc1ccc(cc1)C(=O)OC
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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