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ChemSpider
Search and share chemistry
Simple
Structure
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History
Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID
Systematic names
1,2-dihydroxybenzene
Synonyms
AIBN
Trade names
Aspirin
Registry numbers
7732-18-5
SMILES
O=C(OCC)C
InChl
InChI=1/CH4/h1H4
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Filter only those having analytical data
Found 25 results
Search term:
PEDCQBHIVMGVHV
(Found by InChIKey (skeleton match))
1
2
ID
Structure
Molecular Formula
Molecular Weight
# of Data Sources
# of References
# of PubMed
# of RSC
733
zoom
C
3
H
8
O
3
92.0938
181
33266
35253
9424
9943185
zoom
C
3
H
3
D
5
O
3
97.1246
24
28
0
0
17341149
zoom
13
C
3
H
8
O
3
95.0718
22
21
0
0
21106118
zoom
C
3
D
8
O
3
100.1431
19
22
0
0
8351599
zoom
C
2
13
CH
8
O
3
93.0865
18
19
0
0
21170322
zoom
C
13
C
2
H
8
O
3
94.0791
15
14
0
0
17339863
zoom
C
3
H
5
D
3
O
3
95.1123
12
11
0
11
8416251
zoom
C
2
13
CH
8
O
3
93.0865
7
6
0
0
9357657
zoom
C
13
C
2
H
8
O
3
94.0791
6
4
0
0
21171076
zoom
14
C
3
H
8
O
3
98.0714
6
6
0
0
32821106
zoom
C
2
14
CH
8
O
3
94.0864
5
5
0
0
32821156
zoom
C
3
H
7
TO
3
94.1019
5
6
0
0
17345622
zoom
13
C
3
D
8
O
3
103.1211
4
5
0
0
62997158
zoom
C
2
14
CH
8
O
3
94.0864
3
2
0
0
77494285
zoom
13
C
3
H
3
D
5
O
3
100.1026
3
2
0
0
32818583
zoom
C
3
H
3
T
5
O
3
102.1344
3
6
0
0
9426992
zoom
C
2
13
CH
6
D
2
O
3
95.0988
2
1
0
0
9587232
zoom
C
2
13
CH
8
O
2
18
O
95.0862
2
1
0
0
9019632
zoom
C
13
C
2
H
6
D
2
O
3
96.0915
2
1
0
0
9183007
zoom
C
3
H
7
DO
2
18
O
95.0997
2
1
0
0
1
2
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