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1027511-94-9 | 1H-Azepine-4-carboxylic acid, 1-acetylhexahydro-
CAS No: 1027511-94-9 Catalog No: AG0008AA MDL No:
Product Description
Catalog Number:
AG0008AA
Chemical Name:
1H-Azepine-4-carboxylic acid, 1-acetylhexahydro-
CAS Number:
1027511-94-9
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
1-acetylazepane-4-carboxylic acid
InChI:
InChI=1S/C9H15NO3/c1-7(11)10-5-2-3-8(4-6-10)9(12)13/h8H,2-6H2,1H3,(H,12,13)
InChI Key:
GJGQKGPMFOLMPB-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(CC1)C(=O)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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