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1485427-12-0 | 2H-Pyran-4-carboxylic acid, 4-(aminomethyl)tetrahydro-, hydrochloride (1:1)
CAS No: 1485427-12-0 Catalog No: AG001KZK MDL No:MFCD25371776
Product Description
Catalog Number:
AG001KZK
Chemical Name:
2H-Pyran-4-carboxylic acid, 4-(aminomethyl)tetrahydro-, hydrochloride (1:1)
CAS Number:
1485427-12-0
Molecular Formula:
C7H14ClNO3
Molecular Weight:
195.6440
MDL Number:
MFCD25371776
IUPAC Name:
4-(aminomethyl)oxane-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H13NO3.ClH/c8-5-7(6(9)10)1-3-11-4-2-7;/h1-5,8H2,(H,9,10);1H
InChI Key:
MFSOOGFDTTVGJQ-UHFFFAOYSA-N
SMILES:
NCC1(CCOCC1)C(=O)O.Cl
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.643g/mol
Monoisotopic Mass:
195.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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