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Home > Aldehydes > 176240-12-3
176240-12-3 | 2-Pyrrolidinecarboxaldehyde, 1-(phenylmethyl)-, (2S)-
CAS No: 176240-12-3 Catalog No: AG0024IV MDL No:MFCD20133981
Product Description
Catalog Number:
AG0024IV
Chemical Name:
2-Pyrrolidinecarboxaldehyde, 1-(phenylmethyl)-, (2S)-
CAS Number:
176240-12-3
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD20133981
IUPAC Name:
(2S)-1-benzylpyrrolidine-2-carbaldehyde
InChI:
InChI=1S/C12H15NO/c14-10-12-7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2/t12-/m0/s1
InChI Key:
DXBOOBQYMUBPPZ-LBPRGKRZSA-N
SMILES:
O=C[C@@H]1CCCN1Cc1ccccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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