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793658-98-7 | 2H-Pyran-4-carboxylicacid, 4-(aminomethyl)tetrahydro-, methyl ester
CAS No: 793658-98-7 Catalog No: AG005KA6 MDL No:MFCD07784123
Product Description
Catalog Number:
AG005KA6
Chemical Name:
2H-Pyran-4-carboxylicacid, 4-(aminomethyl)tetrahydro-, methyl ester
CAS Number:
793658-98-7
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
MDL Number:
MFCD07784123
IUPAC Name:
methyl 4-(aminomethyl)oxane-4-carboxylate
InChI:
InChI=1S/C8H15NO3/c1-11-7(10)8(6-9)2-4-12-5-3-8/h2-6,9H2,1H3
InChI Key:
VJTUCQHBOFWNQT-UHFFFAOYSA-N
SMILES:
NCC1(CCOCC1)C(=O)OC
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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