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1292324-46-9 | 1-Pyrrolidineacetic acid, 3-(methoxycarbonyl)-, (3S)-
CAS No: 1292324-46-9 Catalog No: AG000Z06 MDL No:MFCD16039258
Product Description
Catalog Number:
AG000Z06
Chemical Name:
1-Pyrrolidineacetic acid, 3-(methoxycarbonyl)-, (3S)-
CAS Number:
1292324-46-9
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
MDL Number:
MFCD16039258
IUPAC Name:
2-[(3S)-3-methoxycarbonylpyrrolidin-1-yl]acetic acid
InChI:
InChI=1S/C8H13NO4/c1-13-8(12)6-2-3-9(4-6)5-7(10)11/h6H,2-5H2,1H3,(H,10,11)/t6-/m0/s1
InChI Key:
UBOXHZAFNUHWPR-LURJTMIESA-N
SMILES:
COC(=O)[C@H]1CCN(C1)CC(=O)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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