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1192057-13-8 | 2H-Pyran-4-propanoic acid, α-aminotetrahydro-, methyl ester
CAS No: 1192057-13-8 Catalog No: AG000IDS MDL No:MFCD13193139
Product Description
Catalog Number:
AG000IDS
Chemical Name:
2H-Pyran-4-propanoic acid, α-aminotetrahydro-, methyl ester
CAS Number:
1192057-13-8
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
MDL Number:
MFCD13193139
IUPAC Name:
methyl 2-amino-3-(oxan-4-yl)propanoate
InChI:
InChI=1S/C9H17NO3/c1-12-9(11)8(10)6-7-2-4-13-5-3-7/h7-8H,2-6,10H2,1H3
InChI Key:
BQHLKQZNJCKPOM-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC1CCOCC1)N
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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