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10139-43-2 | 1H-Azepine-4-acetic acid, hexahydro-2-oxo-
CAS No: 10139-43-2 Catalog No: AG0004DN MDL No:
Product Description
Catalog Number:
AG0004DN
Chemical Name:
1H-Azepine-4-acetic acid, hexahydro-2-oxo-
CAS Number:
10139-43-2
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
2-(2-oxoazepan-4-yl)acetic acid
InChI:
InChI=1S/C8H13NO3/c10-7-4-6(5-8(11)12)2-1-3-9-7/h6H,1-5H2,(H,9,10)(H,11,12)
InChI Key:
BXRYJUIICZGSSL-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCNC(=O)C1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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