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116209-27-9 | Benzaldehyde, 3-methoxy-4-(1-pyrrolidinyl)-
CAS No: 116209-27-9 Catalog No: AG000BY2 MDL No:MFCD07403409
Product Description
Catalog Number:
AG000BY2
Chemical Name:
Benzaldehyde, 3-methoxy-4-(1-pyrrolidinyl)-
CAS Number:
116209-27-9
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD07403409
IUPAC Name:
3-methoxy-4-pyrrolidin-1-ylbenzaldehyde
InChI:
InChI=1S/C12H15NO2/c1-15-12-8-10(9-14)4-5-11(12)13-6-2-3-7-13/h4-5,8-9H,2-3,6-7H2,1H3
InChI Key:
DHEGLVHUQIEQEA-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1N1CCCC1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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