COMPOUND: C12110
Help
Entry
C12110 Compound
Name
Gabaculine;
3-Amino-2,3-dihydrobenzoic acid
Formula
C7H9NO2
Exact mass
139.0633
Mol weight
139.1519
Structure
Mol file
KCF file
DB search
Other DBs
CAS:
87980-11-8
PubChem:
14257
ChEBI:
29585
NIKKAJI:
J12.403F
LinkDB
All DBs
KCF data
Show
ATOM 10
1 C2x C 17.5025 -14.6416
2 C2x C 16.3074 -15.3711
3 C2x C 16.3431 -16.7735
4 C1y C 17.5703 -17.4402
5 C1x C 18.7654 -16.7107
6 C2y C 18.7334 -15.3145
7 C6a C 19.9216 -14.5735
8 O6a O 21.1572 -15.2320
9 O6a O 19.9441 -13.1740
10 N1a N 17.5354 -18.8399
BOND 10
1 4 5 1
2 5 6 1
3 6 1 2
4 6 7 1
5 1 2 1
6 7 8 1
7 2 3 2
8 7 9 2
9 3 4 1
10 4 10 1
» Japanese version
DBGET
integrated database retrieval system