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1379811-81-0 | 3-Oxetanecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 1379811-81-0 Catalog No: AG0017RK MDL No:MFCD22370045
Product Description
Catalog Number:
AG0017RK
Chemical Name:
3-Oxetanecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
1379811-81-0
Molecular Formula:
C12H13NO5
Molecular Weight:
251.2353
MDL Number:
MFCD22370045
IUPAC Name:
3-(phenylmethoxycarbonylamino)oxetane-3-carboxylic acid
InChI:
InChI=1S/C12H13NO5/c14-10(15)12(7-17-8-12)13-11(16)18-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,16)(H,14,15)
InChI Key:
SDACJLQSZZYSTE-UHFFFAOYSA-N
SMILES:
O=C(NC1(COC1)C(=O)O)OCc1ccccc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.238g/mol
Monoisotopic Mass:
251.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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