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58028-74-3 | 2-(Pyrrolidin-1-yl)benzaldehyde
CAS No: 58028-74-3 Catalog No: AG003EPV MDL No:MFCD03419322
Product Description
Catalog Number:
AG003EPV
Chemical Name:
2-(Pyrrolidin-1-yl)benzaldehyde
CAS Number:
58028-74-3
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD03419322
IUPAC Name:
2-pyrrolidin-1-ylbenzaldehyde
InChI:
InChI=1S/C11H13NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-2,5-6,9H,3-4,7-8H2
InChI Key:
QJHUKBIDTDKVSL-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1N1CCCC1
Properties
Complexity:
175
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:
2
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