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131004-30-3 | 1-Piperazinecarboxylic acid, (4-methoxyphenyl)methyl ester
CAS No: 131004-30-3 Catalog No: AG000VBH MDL No:
Product Description
Catalog Number:
AG000VBH
Chemical Name:
1-Piperazinecarboxylic acid, (4-methoxyphenyl)methyl ester
CAS Number:
131004-30-3
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
IUPAC Name:
(4-methoxyphenyl)methyl piperazine-1-carboxylate
InChI:
InChI=1S/C13H18N2O3/c1-17-12-4-2-11(3-5-12)10-18-13(16)15-8-6-14-7-9-15/h2-5,14H,6-10H2,1H3
InChI Key:
UOHJEDBIRDIRSB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COC(=O)N1CCNCC1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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