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101642-77-7 | Propanoic acid, 2-methyl-3-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 101642-77-7 Catalog No: AG00050J MDL No:MFCD02094551
Product Description
Catalog Number:
AG00050J
Chemical Name:
Propanoic acid, 2-methyl-3-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
101642-77-7
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
MDL Number:
MFCD02094551
IUPAC Name:
2-methyl-3-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C12H15NO4/c1-9(11(14)15)7-13-12(16)17-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,16)(H,14,15)
InChI Key:
YDSJUQJHDFBDSZ-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)CNC(=O)OCc1ccccc1
NSC Number:
195912
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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