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84754-31-4 | 2-METHYL-4-PYRROLIDIN-1-YL-BENZALDEHYDE
CAS No: 84754-31-4 Catalog No: AG004OY4 MDL No:MFCD04084439
Product Description
Catalog Number:
AG004OY4
Chemical Name:
2-METHYL-4-PYRROLIDIN-1-YL-BENZALDEHYDE
CAS Number:
84754-31-4
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD04084439
IUPAC Name:
2-methyl-4-pyrrolidin-1-ylbenzaldehyde
InChI:
InChI=1S/C12H15NO/c1-10-8-12(5-4-11(10)9-14)13-6-2-3-7-13/h4-5,8-9H,2-3,6-7H2,1H3
InChI Key:
YXOJINLHPFVAAB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1C)N1CCCC1
Properties
Complexity:
199
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:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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