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114106-84-2 | 1-Pyrrolidinepropanoic acid, 2-(hydroxymethyl)-, methyl ester, (S)- (9CI)
CAS No: 114106-84-2 Catalog No: AG000AKP MDL No:
Product Description
Catalog Number:
AG000AKP
Chemical Name:
1-Pyrrolidinepropanoic acid, 2-(hydroxymethyl)-, methyl ester, (S)- (9CI)
CAS Number:
114106-84-2
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
IUPAC Name:
methyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate
InChI:
InChI=1S/C9H17NO3/c1-13-9(12)4-6-10-5-2-3-8(10)7-11/h8,11H,2-7H2,1H3
InChI Key:
YXASICFQNIHUPQ-UHFFFAOYSA-N
SMILES:
OC[C@@H]1CCCN1CCC(=O)OC
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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