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Home > Aldehydes > 1691128-71-8
1691128-71-8 | 2-(3-hydroxypyrrolidin-1-yl)-5-methylbenzaldehyde
CAS No: 1691128-71-8 Catalog No: AG01C8NG MDL No:MFCD31443173
Product Description
Catalog Number:
AG01C8NG
Chemical Name:
2-(3-hydroxypyrrolidin-1-yl)-5-methylbenzaldehyde
CAS Number:
1691128-71-8
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD31443173
IUPAC Name:
2-(3-hydroxypyrrolidin-1-yl)-5-methylbenzaldehyde
InChI:
InChI=1S/C12H15NO2/c1-9-2-3-12(10(6-9)8-14)13-5-4-11(15)7-13/h2-3,6,8,11,15H,4-5,7H2,1H3
InChI Key:
ZXWDQUQIZQWISM-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)ccc1N1CCC(C1)O
Properties
Complexity:
232
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:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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