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1027511-99-4 | 1H-Azepine-4-carboxylic acid, 1-acetylhexahydro-4-methyl-
CAS No: 1027511-99-4 Catalog No: AG0008A9 MDL No:
Product Description
Catalog Number:
AG0008A9
Chemical Name:
1H-Azepine-4-carboxylic acid, 1-acetylhexahydro-4-methyl-
CAS Number:
1027511-99-4
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
IUPAC Name:
1-acetyl-4-methylazepane-4-carboxylic acid
InChI:
InChI=1S/C10H17NO3/c1-8(12)11-6-3-4-10(2,5-7-11)9(13)14/h3-7H2,1-2H3,(H,13,14)
InChI Key:
BNFMXWZYSBHTAE-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCCC(CC1)(C)C(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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