COMPOUND: C20335
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Entry
C20335 Compound
Name
1,3-Butanediol;
1,3-Butylene glycol
Formula
C4H10O2
Exact mass
90.0681
Mol weight
90.121
Structure
Mol file
KCF file
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Remark
Same as:
D10695
Other DBs
CAS:
107-88-0
PubChem:
163312073
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KCF data
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ATOM 6
1 O1a O 13.6500 -13.0200
2 C1b C 12.4600 -13.7200
3 C1b C 11.2700 -13.0200
4 C1c C 10.0800 -13.7200
5 C1a C 8.8900 -13.0200
6 O1a O 10.0800 -15.1200
BOND 5
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 4 6 1
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