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51980-54-2 | 4-(Pyrrolidin-1-yl)benzaldehyde
CAS No: 51980-54-2 Catalog No: AG003JYD MDL No:MFCD00015469
Product Description
Catalog Number:
AG003JYD
Chemical Name:
4-(Pyrrolidin-1-yl)benzaldehyde
CAS Number:
51980-54-2
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD00015469
IUPAC Name:
4-pyrrolidin-1-ylbenzaldehyde
InChI:
InChI=1S/C11H13NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h3-6,9H,1-2,7-8H2
InChI Key:
DATXHLPRESKQJK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1CCCC1
EC Number:
257-570-0
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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