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887922-93-2 | 3-(Pyrrolidin-1-ylmethyl);benzoic acid hydrochloride
CAS No: 887922-93-2 Catalog No: AG003HZS MDL No:MFCD08690301
Product Description
Catalog Number:
AG003HZS
Chemical Name:
3-(Pyrrolidin-1-ylmethyl);benzoic acid hydrochloride
CAS Number:
887922-93-2
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
MDL Number:
MFCD08690301
IUPAC Name:
3-(pyrrolidin-1-ylmethyl)benzoic acid;hydrochloride
InChI:
InChI=1S/C12H15NO2.ClH/c14-12(15)11-5-3-4-10(8-11)9-13-6-1-2-7-13;/h3-5,8H,1-2,6-7,9H2,(H,14,15);1H
InChI Key:
BORITTZEFSYNFT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)CN1CCCC1.Cl
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.715g/mol
Monoisotopic Mass:
241.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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