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80020-05-9 | Benzaldehyde,4-(1-pyrrolidinylcarbonyl)-
CAS No: 80020-05-9 Catalog No: AG0055GZ MDL No:MFCD07186280
Product Description
Catalog Number:
AG0055GZ
Chemical Name:
Benzaldehyde,4-(1-pyrrolidinylcarbonyl)-
CAS Number:
80020-05-9
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD07186280
IUPAC Name:
4-(pyrrolidine-1-carbonyl)benzaldehyde
InChI:
InChI=1S/C12H13NO2/c14-9-10-3-5-11(6-4-10)12(15)13-7-1-2-8-13/h3-6,9H,1-2,7-8H2
InChI Key:
XTXKPVXZEDERLE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(=O)N1CCCC1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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