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138402-13-8 | 2H-Pyran-4-carboxylic acid, tetrahydro-4-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 138402-13-8 Catalog No: AG0018Q5 MDL No:MFCD10698084
Product Description
Catalog Number:
AG0018Q5
Chemical Name:
2H-Pyran-4-carboxylic acid, tetrahydro-4-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
138402-13-8
Molecular Formula:
C14H17NO5
Molecular Weight:
279.2885
MDL Number:
MFCD10698084
IUPAC Name:
4-(phenylmethoxycarbonylamino)oxane-4-carboxylic acid
InChI:
InChI=1S/C14H17NO5/c16-12(17)14(6-8-19-9-7-14)15-13(18)20-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,18)(H,16,17)
InChI Key:
KBGZJANMFZSOFP-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCOCC1)C(=O)O)OCc1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.292g/mol
Monoisotopic Mass:
279.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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