Entry |
|
Name |
Methylparaben sodium (NF) |
Formula |
C8H7O3. Na
|
Exact mass |
174.0293
|
Mol weight |
174.1291
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Pharmaceutic aid (antimicrobial preservative) |
Structure map |
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 12
1 C8y C 26.4290 -18.0086
2 C7a C 26.4290 -16.6091
3 C8x C 25.2160 -18.7084
4 C8x C 27.6419 -18.7084
5 O7a O 25.2160 -15.9094
6 O6a O 27.6419 -15.9094
7 C8x C 25.2160 -20.1079
8 C8x C 27.6419 -20.1079
9 C8y C 26.4290 -20.8076
10 O1a O 26.4290 -22.2071 #-
11 C1a C 24.0032 -16.6091
12 Z Na 23.7712 -22.2283 #+
BOND 11
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 4 8 1
8 7 9 1
9 9 10 1
10 8 9 2
11 5 11 1
|