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Home > Aldehydes > 884507-42-0
884507-42-0 | 3-(Pyrrolidin-1-ylmethyl)benzaldehyde
CAS No: 884507-42-0 Catalog No: AG004INT MDL No:MFCD07782420
Product Description
Catalog Number:
AG004INT
Chemical Name:
3-(Pyrrolidin-1-ylmethyl)benzaldehyde
CAS Number:
884507-42-0
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD07782420
IUPAC Name:
3-(pyrrolidin-1-ylmethyl)benzaldehyde
InChI:
InChI=1S/C12H15NO/c14-10-12-5-3-4-11(8-12)9-13-6-1-2-7-13/h3-5,8,10H,1-2,6-7,9H2
InChI Key:
XHHOLQHPKIDQEM-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)CN1CCCC1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2.2
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